5-O-ethenyl 3-O-methyl (2S)-2-[4-(4-benzhydrylpiperazin-1-yl)phenyl]-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-pyridine-3,5-dicarboxylate,dihydrochloride
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![5-O-ethenyl 3-O-methyl (2S)-2-[4-(4-benzhydrylpiperazin-1-yl)phenyl]-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-pyridine-3,5-dicarboxylate,dihydrochloride structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/fc90ce5c2b104d8389c44ec9d80db2f0.png "5-O-ethenyl 3-O-methyl (2S)-2-[4-(4-benzhydrylpiperazin-1-yl)phenyl]-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-pyridine-3,5-dicarboxylate,dihydrochloride")
5-O-ethenyl 3-O-methyl (2S)-2-[4-(4-benzhydrylpiperazin-1-yl)phenyl]-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-pyridine-3,5-dicarboxylate,dihydrochloride
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CAS No:
189624-85-9
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Formula:
C41H44Cl2N4O6
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Chemical Name:
5-O-ethenyl 3-O-methyl (2S)-2-[4-(4-benzhydrylpiperazin-1-yl)phenyl]-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-pyridine-3,5-dicarboxylate,dihydrochloride
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Synonyms:
B 8509-035; (S)-(+)-Watanidipine hydrochloride; (S)-AE0047; BY 935; 3,5-Pyridinedicarboxylic acid,1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,2-(4-(4-(diphenylmethyl)-1-piperazinyl)phenyl)ethyl methyl ester,dihydrochloride,(S)-(+); Watanidipine hydrochloride (S)-enantiomer; (R)-Nigaldipine hydrochloride; (-)-Nigaldipine hydrochloride;Expand
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CAS No:
5-O-ethenyl 3-O-methyl (2S)-2-[4-(4-benzhydrylpiperazin-1-yl)phenyl]-2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-pyridine-3,5-dicarboxylate,dihydrochloride Basic Attributes
759.71700
758.2637905
Computed Properties
Molecular Weight:759.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:12
Exact Mass:758.2637905
Monoisotopic Mass:758.2637905
Topological Polar Surface Area:117
Heavy Atom Count:53
Complexity:1250
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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