CAS RN: 63041-70-3
CAS Name: 3-propan-2-yl-1,2-dihydrobenzo[j]aceanthrylene
OPENEYE Name: 3-isopropyl-1,2-dihydrobenzo[j]aceanthrylene
IUPAC Name: 3-propan-2-yl-1,2-dihydrobenzo[j]aceanthrylene
SYSTEMATIC NAME: 3-propan-2-yl-1,2-dihydrobenzo[j]aceanthrylene
MOLECULAR FORMULA: C23H20
MOLECULAR WEIGHT: 296.4049
SMILES: CC(C)C1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1
Structure:
CAS RN: 63041-50-9
CAS Name: 3-methyl-1,2,6,12b-tetrahydrobenzo[j]aceanthrylene
OPENEYE Name: 3-methyl-1,2,6,12b-tetrahydrobenzo[j]aceanthrylene
IUPAC Name: 3-methyl-1,2,6,12b-tetrahydrobenzo[j]aceanthrylene
SYSTEMATIC NAME: 3-methyl-1,2,6,12b-tetrahydrobenzo[j]aceanthrylene
MOLECULAR FORMULA: C21H18
MOLECULAR WEIGHT: 270.36762
SMILES: CC1=C2CCC3C2=C(CC4=C3C=CC5=CC=CC=C45)C=C1
Structure:
CAS RN: 63041-49-6
CAS Name: 1,2,6,12b-tetrahydrobenzo[j]aceanthrylene
OPENEYE Name: 1,2,6,12b-tetrahydrobenzo[j]aceanthrylene
IUPAC Name: 1,2,6,12b-tetrahydrobenzo[j]aceanthrylene
SYSTEMATIC NAME: 1,2,6,12b-tetrahydrobenzo[j]aceanthrylene
MOLECULAR FORMULA: C20H16
MOLECULAR WEIGHT: 256.34104
SMILES: C1CC2=CC=CC3=C2C1C4=C(C3)C5=CC=CC=C5C=C4
Structure:
CAS RN: 63041-23-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H18N4
MOLECULAR WEIGHT: 362.42652
SMILES: CC1=CC2=C(C=C1)N=C3C4=C(C=CC(=C4)C)N=C5N3C2=NC6=C5C=C(C=C6)C
Structure:
CAS RN: 63041-15-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H14N4
MOLECULAR WEIGHT: 334.37336
SMILES: CC1=C2C(=CC=C1)N=C3C4=CC=CC=C4N=C5N3C2=NC6=CC=CC=C65
Structure:
CAS RN: 63041-14-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H14N4
MOLECULAR WEIGHT: 334.37336
SMILES: CC1=CC=CC2=C1N=C3C4=CC=CC=C4N=C5N3C2=NC6=CC=CC=C65
Structure:
CAS RN: 63041-00-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H11BrN4
MOLECULAR WEIGHT: 399.24284
SMILES: C1=CC=C2C(=C1)C3=NC4=C(C=C(C=C4)Br)C5=NC6=CC=CC=C6C(=N2)N35
Structure:
CAS RN: 63040-58-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H14O
MOLECULAR WEIGHT: 318.36736
SMILES: CC1=C2C=CC3=C4C2=C5C(=C(C4=CC=C3)C=O)C=CC6=C5C1=CC=C6
Structure:
CAS RN: 63040-55-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H12O
MOLECULAR WEIGHT: 304.34078
SMILES: C1=CC2=C3C(=C1)C=C4C=CC5=C6C4=C3C(=C(C6=CC=C5)C=O)C=C2
Structure:
CAS RN: 63040-45-9
CAS Name: 3,6-dimethyl-2,3-dihydro-1H-cyclopenta[a]anthracene
OPENEYE Name: 3,6-dimethyl-2,3-dihydro-1H-cyclopenta[a]anthracene
IUPAC Name: 3,6-dimethyl-2,3-dihydro-1H-cyclopenta[a]anthracene
SYSTEMATIC NAME: 3,6-dimethyl-2,3-dihydro-1H-cyclopenta[a]anthracene
MOLECULAR FORMULA: C19H18
MOLECULAR WEIGHT: 246.34622
SMILES: CC1CCC2=C1C=CC3=C(C4=CC=CC=C4C=C23)C
Structure:
CAS RN: 63040-21-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H13N5O3
MOLECULAR WEIGHT: 383.35962
SMILES: C1=CC=C2C(=C1)C3=C4C=CC=CC4=NC5=NC6=CC=CC=C6C(=N2)N35.[N+](=O)(O)[O-]
Structure:
CAS RN: 63040-09-5
CAS Name: 3-methyl-1,2-dihydrobenzo[j]aceanthrylene; 1,3,5-trinitrobenzene
OPENEYE Name: 3-methyl-1,2-dihydrobenzo[j]aceanthrylene; 1,3,5-trinitrobenzene
IUPAC Name: 3-methyl-1,2-dihydrobenzo[j]aceanthrylene; 1,3,5-trinitrobenzene
SYSTEMATIC NAME: 3-methyl-1,2-dihydrobenzo[j]aceanthrylene; 1,3,5-trinitrobenzene
MOLECULAR FORMULA: C27H19N3O6
MOLECULAR WEIGHT: 481.45626
SMILES: CC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 63039-98-5
CAS Name: 3-phenyl-1-(1-piperidinyl)-3-hexanol hydrochloride
OPENEYE Name: 3-phenyl-1-(1-piperidyl)hexan-3-ol hydrochloride
IUPAC Name: 3-phenyl-1-piperidin-1-ylhexan-3-ol hydrochloride
SYSTEMATIC NAME: 3-phenyl-1-piperidin-1-yl-hexan-3-ol hydrochloride
MOLECULAR FORMULA: C17H28ClNO
MOLECULAR WEIGHT: 297.86332
SMILES: CCCC(CCN1CCCCC1)(C2=CC=CC=C2)O.Cl
Structure:
CAS RN: 63039-97-4
CAS Name: 3-phenyl-1-(1-piperidinyl)-3-heptanol hydrochloride
OPENEYE Name: 3-phenyl-1-(1-piperidyl)heptan-3-ol hydrochloride
IUPAC Name: 3-phenyl-1-piperidin-1-ylheptan-3-ol hydrochloride
SYSTEMATIC NAME: 3-phenyl-1-piperidin-1-yl-heptan-3-ol hydrochloride
MOLECULAR FORMULA: C18H30ClNO
MOLECULAR WEIGHT: 311.8899
SMILES: CCCCC(CCN1CCCCC1)(C2=CC=CC=C2)O.Cl
Structure:
CAS RN: 63039-96-3
CAS Name: 4-methyl-3-phenyl-1-(1-piperidinyl)-3-pentanol hydrochloride
OPENEYE Name: 4-methyl-3-phenyl-1-(1-piperidyl)pentan-3-ol hydrochloride
IUPAC Name: 4-methyl-3-phenyl-1-piperidin-1-ylpentan-3-ol hydrochloride
SYSTEMATIC NAME: 4-methyl-3-phenyl-1-piperidin-1-yl-pentan-3-ol hydrochloride
MOLECULAR FORMULA: C17H28ClNO
MOLECULAR WEIGHT: 297.86332
SMILES: CC(C)C(CCN1CCCCC1)(C2=CC=CC=C2)O.Cl
Structure:
CAS RN: 63039-95-2
CAS Name: 6-methyl-3-phenyl-1-(1-piperidinyl)-3-heptanol hydrochloride
OPENEYE Name: 6-methyl-3-phenyl-1-(1-piperidyl)heptan-3-ol hydrochloride
IUPAC Name: 6-methyl-3-phenyl-1-piperidin-1-ylheptan-3-ol hydrochloride
SYSTEMATIC NAME: 6-methyl-3-phenyl-1-piperidin-1-yl-heptan-3-ol hydrochloride
MOLECULAR FORMULA: C19H32ClNO
MOLECULAR WEIGHT: 325.91648
SMILES: CC(C)CCC(CCN1CCCCC1)(C2=CC=CC=C2)O.Cl
Structure:
CAS RN: 63031-38-9
CAS Name: 5,6-bis(4-methylphenyl)-3-(methylthio)-1,2,4-triazine
OPENEYE Name: 3-methylsulfanyl-5,6-bis(p-tolyl)-1,2,4-triazine
IUPAC Name: 5,6-bis(4-methylphenyl)-3-methylsulfanyl-1,2,4-triazine
SYSTEMATIC NAME: 5,6-bis(4-methylphenyl)-3-methylsulfanyl-1,2,4-triazine
MOLECULAR FORMULA: C18H17N3S
MOLECULAR WEIGHT: 307.41268
SMILES: CC1=CC=C(C=C1)C2=C(N=NC(=N2)SC)C3=CC=C(C=C3)C
Structure:
CAS RN: 63027-79-2
CAS Name: diethylphosphoryloxybenzene
OPENEYE Name: diethylphosphoryloxybenzene
IUPAC Name: diethylphosphoryloxybenzene
SYSTEMATIC NAME: diethylphosphoryloxybenzene
MOLECULAR FORMULA: C10H15O2P
MOLECULAR WEIGHT: 198.198661
SMILES: CCP(=O)(CC)OC1=CC=CC=C1
Structure:
CAS RN: 63023-85-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H15NO
MOLECULAR WEIGHT: 177.2429
SMILES: C1CC2CC1C3=CN(C=C23)CCO
Structure:
CAS RN: 63023-83-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H19NO
MOLECULAR WEIGHT: 181.27466
SMILES: C1CC2CC1C3C2CN(C3)CCO
Structure:
CAS RN: 63019-76-1
CAS Name: 1,1-dimethyl-3-(4-phenyldiazenylphenyl)urea
OPENEYE Name: 1,1-dimethyl-3-(4-phenylazophenyl)urea
IUPAC Name: 1,1-dimethyl-3-(4-phenyldiazenylphenyl)urea
SYSTEMATIC NAME: 1,1-dimethyl-3-(4-phenyldiazenylphenyl)urea
MOLECULAR FORMULA: C15H16N4O
MOLECULAR WEIGHT: 268.31374
SMILES: CN(C)C(=O)NC1=CC=C(C=C1)N=NC2=CC=CC=C2
Structure:
CAS RN: 63009-94-9
CAS Name: 1-(methylamino)-3-phenyl-2-propanol
OPENEYE Name: 1-(methylamino)-3-phenyl-propan-2-ol
IUPAC Name: 1-(methylamino)-3-phenylpropan-2-ol
SYSTEMATIC NAME: 1-(methylamino)-3-phenyl-propan-2-ol
MOLECULAR FORMULA: C10H15NO
MOLECULAR WEIGHT: 165.2322
SMILES: CNCC(CC1=CC=CC=C1)O
Structure:
CAS RN: 63007-71-6
CAS Name: 2-[3-chloro-4-(cyclopropylmethoxy)phenyl]propanoic acid; (2S)-2,6-diaminohexanoic acid
OPENEYE Name: 2-[3-chloro-4-(cyclopropylmethoxy)phenyl]propanoic acid; (2S)-2,6-diaminohexanoic acid
IUPAC Name: 2-[3-chloro-4-(cyclopropylmethoxy)phenyl]propanoic acid; (2S)-2,6-diaminohexanoic acid
SYSTEMATIC NAME: (2S)-2,6-bis(azanyl)hexanoic acid; 2-[3-chloranyl-4-(cyclopropylmethoxy)phenyl]propanoic acid
MOLECULAR FORMULA: C19H29ClN2O5
MOLECULAR WEIGHT: 400.89696
SMILES: CC(C1=CC(=C(C=C1)OCC2CC2)Cl)C(=O)O.C(CCN)C[C@@H](C(=O)O)N
Structure:
CAS RN: 63007-70-5
CAS Name: 2-[3-chloro-4-(cyclopropylmethoxy)phenyl]acetic acid; (2S)-2,6-diaminohexanoic acid
OPENEYE Name: 2-[3-chloro-4-(cyclopropylmethoxy)phenyl]acetic acid; (2S)-2,6-diaminohexanoic acid
IUPAC Name: 2-[3-chloro-4-(cyclopropylmethoxy)phenyl]acetic acid; (2S)-2,6-diaminohexanoic acid
SYSTEMATIC NAME: (2S)-2,6-bis(azanyl)hexanoic acid; 2-[3-chloranyl-4-(cyclopropylmethoxy)phenyl]ethanoic acid
MOLECULAR FORMULA: C18H27ClN2O5
MOLECULAR WEIGHT: 386.87038
SMILES: C1CC1COC2=C(C=C(C=C2)CC(=O)O)Cl.C(CCN)C[C@@H](C(=O)O)N
Structure:
CAS RN: 62989-85-9
CAS Name: [(1R,8R)-4-[10-[(1R,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-4-yl]decyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methanol dibromide
OPENEYE Name: [(1R,8R)-4-[10-[(1R,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-4-yl]decyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methanol dibromide
IUPAC Name: [(1R,8R)-4-[10-[(1R,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-4-yl]decyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methanol dibromide
SYSTEMATIC NAME: [(1R,8R)-4-[10-[(1R,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-4-yl]decyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methanol dibromide
MOLECULAR FORMULA: C26H50Br2N2O2
MOLECULAR WEIGHT: 582.4954
SMILES: C1C[C@@H]2[C@@H](CC[N+]2(C1)CCCCCCCCCC[N+]34CCC[C@@H]3[C@@H](CC4)CO)CO.[Br-].[Br-]
Structure:
CAS RN: 62989-72-4
CAS Name: (2S)-2-(dimethylamino)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-methylpentanamide
OPENEYE Name: (2S)-2-(dimethylamino)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-methyl-pentanamide
IUPAC Name: (2S)-2-(dimethylamino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methylpentanamide
SYSTEMATIC NAME: (2S)-2-(dimethylamino)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-methyl-pentanamide
MOLECULAR FORMULA: C19H28N4O2
MOLECULAR WEIGHT: 344.45122
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@H](CC(C)C)N(C)C
Structure:
CAS RN: 62988-58-3
CAS Name: 2-(1-piperidinyl)acetic acid decyl ester hydrochloride
OPENEYE Name: decyl 2-(1-piperidyl)acetate hydrochloride
IUPAC Name: decyl 2-piperidin-1-ylacetate hydrochloride
SYSTEMATIC NAME: decyl 2-piperidin-1-ylethanoate hydrochloride
MOLECULAR FORMULA: C17H34ClNO2
MOLECULAR WEIGHT: 319.91036
SMILES: CCCCCCCCCCOC(=O)CN1CCCCC1.Cl
Structure:
CAS RN: 62984-52-5
CAS Name: 2-[(didecylamino)methyl]phenol
OPENEYE Name: 2-[(didecylamino)methyl]phenol
IUPAC Name: 2-[(didecylamino)methyl]phenol
SYSTEMATIC NAME: 2-[(didecylamino)methyl]phenol
MOLECULAR FORMULA: C27H49NO
MOLECULAR WEIGHT: 403.68406
SMILES: CCCCCCCCCCN(CCCCCCCCCC)CC1=CC=CC=C1O
Structure:
CAS RN: 62979-24-2
CAS Name: 1-[(5,6-dimethoxy-3,4-dihydro-1H-2-benzopyran-1-yl)methyl]piperidine hydrochloride
OPENEYE Name: 1-[(5,6-dimethoxyisochroman-1-yl)methyl]piperidine hydrochloride
IUPAC Name: 1-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]piperidine hydrochloride
SYSTEMATIC NAME: 1-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]piperidine hydrochloride
MOLECULAR FORMULA: C17H26ClNO3
MOLECULAR WEIGHT: 327.84624
SMILES: COC1=C(C2=C(C=C1)C(OCC2)CN3CCCCC3)OC.Cl
Structure:
CAS RN: 62979-19-5
CAS Name: 1-[(5,6-dimethoxy-3,4-dihydro-1H-2-benzopyran-1-yl)methyl]-4-phenylpiperazine
OPENEYE Name: 1-[(5,6-dimethoxyisochroman-1-yl)methyl]-4-phenyl-piperazine
IUPAC Name: 1-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-4-phenylpiperazine
SYSTEMATIC NAME: 1-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-4-phenyl-piperazine
MOLECULAR FORMULA: C22H28N2O3
MOLECULAR WEIGHT: 368.46932
SMILES: COC1=C(C2=C(C=C1)C(OCC2)CN3CCN(CC3)C4=CC=CC=C4)OC
Structure:
CAS RN: 62978-57-8
CAS Name: (2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]propanoic acid methyl ester trihydrochloride
OPENEYE Name: methyl (2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoate trihydrochloride
IUPAC Name: methyl (2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoate trihydrochloride
SYSTEMATIC NAME: methyl (2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate trihydrochloride
MOLECULAR FORMULA: C20H35Cl5N4O3
MOLECULAR WEIGHT: 556.7819
SMILES: COC(=O)[C@H](CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)[C@H](CCCCN)N.Cl.Cl.Cl
Structure:
CAS RN: 62978-50-1
CAS Name: (2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[(2S)-2-[[(2S)-2,6-diamino-1-oxohexyl]amino]-3-methyl-1-oxobutyl]amino]propanoic acid hydrochloride
OPENEYE Name: (2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methyl-butanoyl]amino]propanoic acid hydrochloride
IUPAC Name: (2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylbutanoyl]amino]propanoic acid hydrochloride
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-2,6-bis(azanyl)hexanoyl]amino]-3-methyl-butanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid hydrochloride
MOLECULAR FORMULA: C24H40Cl3N5O4
MOLECULAR WEIGHT: 568.9645
SMILES: CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)N(CCCl)CCCl)C(=O)O)NC(=O)[C@H](CCCCN)N.Cl
Structure:
CAS RN: 62972-64-9
CAS Name: cyclohexyl-(4-methyl-1-piperidinyl)methanone
OPENEYE Name: cyclohexyl-(4-methyl-1-piperidyl)methanone
IUPAC Name: cyclohexyl-(4-methylpiperidin-1-yl)methanone
SYSTEMATIC NAME: cyclohexyl-(4-methylpiperidin-1-yl)methanone
MOLECULAR FORMULA: C13H23NO
MOLECULAR WEIGHT: 209.32782
SMILES: CC1CCN(CC1)C(=O)C2CCCCC2
Structure:
CAS RN: 62971-07-7
CAS Name: 2-[4-(3-oxo-4,7-dihydro-1H-isoindol-2-yl)phenyl]propanoic acid
OPENEYE Name: 2-[4-(3-oxo-4,7-dihydro-1H-isoindol-2-yl)phenyl]propanoic acid
IUPAC Name: 2-[4-(3-oxo-4,7-dihydro-1H-isoindol-2-yl)phenyl]propanoic acid
SYSTEMATIC NAME: 2-[4-(3-oxidanylidene-4,7-dihydro-1H-isoindol-2-yl)phenyl]propanoic acid
MOLECULAR FORMULA: C17H17NO3
MOLECULAR WEIGHT: 283.32178
SMILES: CC(C1=CC=C(C=C1)N2CC3=C(C2=O)CC=CC3)C(=O)O
Structure:
CAS RN: 62970-63-2
CAS Name: 5-oxo-5-(phenylhydrazo)-N-(phenylmethyl)pentanamide
OPENEYE Name: N-benzyl-5-oxo-5-(2-phenylhydrazino)pentanamide
IUPAC Name: N-benzyl-5-oxo-5-(2-phenylhydrazinyl)pentanamide
SYSTEMATIC NAME: 5-oxidanylidene-5-(2-phenylhydrazinyl)-N-(phenylmethyl)pentanamide
MOLECULAR FORMULA: C18H21N3O2
MOLECULAR WEIGHT: 311.37824
SMILES: C1=CC=C(C=C1)CNC(=O)CCCC(=O)NNC2=CC=CC=C2
Structure:
CAS RN: 62961-56-2
CAS Name: 7-[3-[[(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione hydrochloride
OPENEYE Name: 7-[3-[[(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]amino]propyl]-1,3-dimethyl-purine-2,6-dione hydrochloride
IUPAC Name: 7-[3-[[(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione hydrochloride
SYSTEMATIC NAME: 7-[3-[[(2R)-2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]amino]propyl]-1,3-dimethyl-purine-2,6-dione hydrochloride
MOLECULAR FORMULA: C18H24ClN5O5
MOLECULAR WEIGHT: 425.86666
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNC[C@@H](C3=CC(=C(C=C3)O)O)O.Cl
Structure:
CAS RN: 62960-85-4
CAS Name: acetic acid [4-[10-[1-(acetyloxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-4-yl]decyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl ester dibromide
OPENEYE Name: [4-[10-[1-(acetoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-4-yl]decyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl acetate dibromide
IUPAC Name: [4-[10-[1-(acetyloxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-4-yl]decyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl acetate dibromide
SYSTEMATIC NAME: [4-[10-[1-(acetyloxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-4-yl]decyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl ethanoate dibromide
MOLECULAR FORMULA: C30H54Br2N2O4
MOLECULAR WEIGHT: 666.56876
SMILES: CC(=O)OCC1CC[N+]2(C1CCC2)CCCCCCCCCC[N+]34CCCC3C(CC4)COC(=O)C.[Br-].[Br-]
Structure:
CAS RN: 62960-83-2
CAS Name: acetic acid [(1R,8S)-4-[10-[(1R,8S)-1-(acetyloxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-4-yl]decyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl ester dibromide
OPENEYE Name: [(1R,8S)-4-[10-[(1R,8S)-1-(acetoxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-4-yl]decyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl acetate dibromide
IUPAC Name: [(1R,8S)-4-[10-[(1R,8S)-1-(acetyloxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-4-yl]decyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl acetate dibromide
SYSTEMATIC NAME: [(1R,8S)-4-[10-[(1R,8S)-1-(acetyloxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-4-yl]decyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl ethanoate dibromide
MOLECULAR FORMULA: C30H54Br2N2O4
MOLECULAR WEIGHT: 666.56876
SMILES: CC(=O)OC[C@@H]1CC[N+]2([C@H]1CCC2)CCCCCCCCCC[N+]34CCC[C@H]3[C@@H](CC4)COC(=O)C.[Br-].[Br-]
Structure:
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