CAS RN: 109732-62-9
CAS Name: 2-(4,4-dimethyl-1-piperazin-4-iumyl)quinoline iodide
OPENEYE Name: 2-(4,4-dimethylpiperazin-4-ium-1-yl)quinoline iodide
IUPAC Name: 2-(4,4-dimethylpiperazin-4-ium-1-yl)quinoline iodide
SYSTEMATIC NAME: 2-(4,4-dimethylpiperazin-4-ium-1-yl)quinoline iodide
MOLECULAR FORMULA: C15H20IN3
MOLECULAR WEIGHT: 369.24387
SMILES: C[N+]1(CCN(CC1)C2=NC3=CC=CC=C3C=C2)C.[I-]
Structure:
CAS RN: 109710-36-3
CAS Name: 4-hydroxyhexanal
OPENEYE Name: 4-hydroxyhexanal
IUPAC Name: 4-hydroxyhexanal
SYSTEMATIC NAME: 4-oxidanylhexanal
MOLECULAR FORMULA: C6H12O2
MOLECULAR WEIGHT: 116.15828
SMILES: CCC(CCC=O)O
Structure:
CAS RN: 128700-83-4
CAS Name: 2-methyl-2-propenoic acid [(3aR,4S,6R,10S,11S,11aS)-6-acetyloxy-11-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-3a,4,5,8,9,10,11,11a-octahydrocyclodeca[b]furan-4-yl] ester
OPENEYE Name: [(3aR,4S,6R,10S,11S,11aS)-6-acetoxy-11-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-3a,4,5,8,9,10,11,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
IUPAC Name: [(3aR,4S,6R,10S,11S,11aS)-6-acetyloxy-11-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,9,10,11,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
SYSTEMATIC NAME: [(3aR,4S,6R,10S,11S,11aS)-6-acetyloxy-6,10-dimethyl-3-methylidene-11-oxidanyl-2,7-bis(oxidanylidene)-3a,4,5,8,9,10,11,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
MOLECULAR FORMULA: C21H28O8
MOLECULAR WEIGHT: 408.44222
SMILES: C[C@H]1CCC(=O)[C@](C[C@@H]([C@@H]2[C@@H]([C@H]1O)OC(=O)C2=C)OC(=O)C(=C)C)(C)OC(=O)C
Structure:
CAS RN: 109460-90-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H29N3O7
MOLECULAR WEIGHT: 519.54576
SMILES: COC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1[C@H]([C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)OC(=O)C6=CC=C(C=C6)[N+](=O)[O-])O
Structure:
CAS RN: 128585-07-9
CAS Name: 4-hydroxy-2-[2-(2-hydroxyethoxy)propan-2-yl]-6-(4-hydroxyphenyl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g][1]benzopyran-5-one
OPENEYE Name: 4-hydroxy-2-[1-(2-hydroxyethoxy)-1-methyl-ethyl]-6-(4-hydroxyphenyl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-5-one
IUPAC Name: 4-hydroxy-2-[2-(2-hydroxyethoxy)propan-2-yl]-6-(4-hydroxyphenyl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-5-one
SYSTEMATIC NAME: 2-[2-(2-hydroxyethyloxy)propan-2-yl]-6-(4-hydroxyphenyl)-9-(3-methylbut-2-enyl)-4-oxidanyl-2,3-dihydrofuro[3,2-g]chromen-5-one
MOLECULAR FORMULA: C27H30O7
MOLECULAR WEIGHT: 466.5229
SMILES: CC(=CCC1=C2C(=C(C3=C1OC=C(C3=O)C4=CC=C(C=C4)O)O)CC(O2)C(C)(C)OCCO)C
Structure:
CAS RN: 128563-23-5
CAS Name: (3R,7S,10R,11R)-10-[[(2R,3R,4R,5S,6S)-4-amino-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-3,11-diethyl-7-methyl-azacyclotetradecan-2-one
OPENEYE Name: (3R,7S,10R,11R)-10-[(2R,3R,4R,5S,6S)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,11-diethyl-7-methyl-azacyclotetradecan-2-one
IUPAC Name: (3R,7S,10R,11R)-10-[(2R,3R,4R,5S,6S)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3,11-diethyl-7-methyl-azacyclotetradecan-2-one
SYSTEMATIC NAME: (3R,7S,10R,11R)-10-[(2R,3R,4R,5S,6S)-4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-3,11-diethyl-7-methyl-1-azacyclotetradecan-2-one
MOLECULAR FORMULA: C24H46N2O5
MOLECULAR WEIGHT: 442.63244
SMILES: CC[C@@H]1CCCNC(=O)[C@@H](CCC[C@@H](CC[C@H]1O[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)C)O)N)O)C)CC
Structure:
CAS RN: 109345-60-0
CAS Name: [4-[(11R,13S,17R)-17-hydroxy-13-methyl-3-oxo-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenyl]-trimethylammonium chloride
OPENEYE Name: [4-[(11R,13S,17R)-17-hydroxy-13-methyl-3-oxo-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenyl]-trimethyl-ammonium chloride
IUPAC Name: [4-[(11R,13S,17R)-17-hydroxy-13-methyl-3-oxo-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenyl]-trimethylazanium chloride
SYSTEMATIC NAME: trimethyl-[4-[(11R,13S,17R)-13-methyl-17-oxidanyl-3-oxidanylidene-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenyl]azanium chloride
MOLECULAR FORMULA: C30H38ClNO2
MOLECULAR WEIGHT: 480.08122
SMILES: CC#C[C@]1(CCC2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)[N+](C)(C)C)C)O.[Cl-]
Structure:
CAS RN: 128579-70-4
CAS Name: N-[6-[(4-methyl-1-piperidinyl)-oxomethyl]-1H-benzimidazol-2-yl]carbamic acid methyl ester
OPENEYE Name: methyl N-[6-(4-methylpiperidine-1-carbonyl)-1H-benzimidazol-2-yl]carbamate
IUPAC Name: methyl N-[6-(4-methylpiperidine-1-carbonyl)-1H-benzimidazol-2-yl]carbamate
SYSTEMATIC NAME: methyl N-[6-(4-methylpiperidin-1-yl)carbonyl-1H-benzimidazol-2-yl]carbamate
MOLECULAR FORMULA: C16H20N4O3
MOLECULAR WEIGHT: 316.355
SMILES: CC1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(N3)NC(=O)OC
Structure:
CAS RN: 109306-94-7
CAS Name: 4-amino-N-(2,6-dimethylphenyl)-3,5-dimethylbenzamide
OPENEYE Name: 4-amino-N-(2,6-dimethylphenyl)-3,5-dimethyl-benzamide
IUPAC Name: 4-amino-N-(2,6-dimethylphenyl)-3,5-dimethylbenzamide
SYSTEMATIC NAME: 4-azanyl-N-(2,6-dimethylphenyl)-3,5-dimethyl-benzamide
MOLECULAR FORMULA: C17H20N2O
MOLECULAR WEIGHT: 268.3535
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C2=CC(=C(C(=C2)C)N)C
Structure:
CAS RN: 128574-17-4
CAS Name: acetic acid [4-(4-methoxyphenyl)-2-oxo-1-(2-pyrrolidinylmethyl)-6-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-3-yl] ester hydrochloride
OPENEYE Name: [4-(4-methoxyphenyl)-2-oxo-1-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-3-yl] acetate hydrochloride
IUPAC Name: [4-(4-methoxyphenyl)-2-oxo-1-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-3-yl] acetate hydrochloride
SYSTEMATIC NAME: [4-(4-methoxyphenyl)-2-oxidanylidene-1-(pyrrolidin-2-ylmethyl)-6-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-3-yl] ethanoate hydrochloride
MOLECULAR FORMULA: C25H28ClF3N2O4
MOLECULAR WEIGHT: 512.94903
SMILES: CC(=O)OC1C(CC2=C(C=CC=C2N(C1=O)CC3CCCN3)C(F)(F)F)C4=CC=C(C=C4)OC.Cl
Structure:
CAS RN: 109241-52-3
CAS Name: N,N-dichloro-2-(1H-imidazol-5-yl)ethanamine
OPENEYE Name: N,N-dichloro-2-(1H-imidazol-5-yl)ethanamine
IUPAC Name: N,N-dichloro-2-(1H-imidazol-5-yl)ethanamine
SYSTEMATIC NAME: N,N-bis(chloranyl)-2-(1H-imidazol-5-yl)ethanamine
MOLECULAR FORMULA: C5H7Cl2N3
MOLECULAR WEIGHT: 180.03518
SMILES: C1=C(NC=N1)CCN(Cl)Cl
Structure:
CAS RN: 109234-08-4
CAS Name: 1-[3-[(4-azidophenyl)methyl]-2,4-dihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-3-(4-hydroxyphenyl)-1-propanone
OPENEYE Name: 1-[3-[(4-azidophenyl)methyl]-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-3-(4-hydroxyphenyl)propan-1-one
IUPAC Name: 1-[3-[(4-azidophenyl)methyl]-2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
SYSTEMATIC NAME: 1-[3-[(4-azidophenyl)methyl]-6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,4-bis(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one
MOLECULAR FORMULA: C28H29N3O10
MOLECULAR WEIGHT: 567.54396
SMILES: C1=CC(=CC=C1CCC(=O)C2=C(C(=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)CC4=CC=C(C=C4)N=[N+]=[N-])O)O
Structure:
CAS RN: 128549-96-2
CAS Name: N-[3-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl-hydroxyamino]propyl]-2-(1H-indol-3-yl)acetamide
OPENEYE Name: N-[3-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl-hydroxy-amino]propyl]-2-(1H-indol-3-yl)acetamide
IUPAC Name: N-[3-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl-hydroxyamino]propyl]-2-(1H-indol-3-yl)acetamide
SYSTEMATIC NAME: N-[3-[3-[3-[4-(3-azanylpropylamino)butylamino]propylamino]propyl-oxidanyl-amino]propyl]-2-(1H-indol-3-yl)ethanamide
MOLECULAR FORMULA: C26H47N7O2
MOLECULAR WEIGHT: 489.69708
SMILES: C1=CC=C2C(=C1)C(=CN2)CC(=O)NCCCN(CCCNCCCNCCCCNCCCN)O
Structure:
CAS RN: 128534-92-9
CAS Name: 2-[(2S,3S,4S,5R)-2,4,5-trihydroxy-6-oxohexan-3-yl]oxypropanoic acid
OPENEYE Name: 2-[(1S,2S,3R)-2,3-dihydroxy-1-[(1S)-1-hydroxyethyl]-4-oxo-butoxy]propanoic acid
IUPAC Name: 2-[(2S,3S,4S,5R)-2,4,5-trihydroxy-6-oxohexan-3-yl]oxypropanoic acid
SYSTEMATIC NAME: 2-[(2S,3S,4S,5R)-2,4,5-tris(oxidanyl)-6-oxidanylidene-hexan-3-yl]oxypropanoic acid
MOLECULAR FORMULA: C9H16O7
MOLECULAR WEIGHT: 236.21914
SMILES: C[C@@H]([C@@H]([C@H]([C@H](C=O)O)O)OC(C)C(=O)O)O
Structure:
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