Dehydro barnidipine

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H27N3O6
Molecular Weight	489.5198
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)C1=C(C2=CC=CC(=C2)[N+]([O-])=O)C(C(=O)O[C@H]3CCN(CC4=CC=CC=C4)C3)=C(C)N=C1C

InChI

InChIKey=DFWOMDUVXAUTRY-QFIPXVFZSA-N

InChI=1S/C27H27N3O6/c1-17-23(26(31)35-3)25(20-10-7-11-21(14-20)30(33)34)24(18(2)28-17)27(32)36-22-12-13-29(16-22)15-19-8-5-4-6-9-19/h4-11,14,22H,12-13,15-16H2,1-3H3/t22-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(S)-3-(1-benzylpyrrolidin-3-yl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate

Preferred Name

English

Dehydro barnidipine

Common Name

English

3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl (3S)-1-(phenylmethyl)-3-pyrrolidinyl ester

Systematic Name

English

3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, methyl 1-(phenylmethyl)-3-pyrrolidinyl ester, (S)

Systematic Name

English

Code System Code Type Description

CAS

172331-68-9

Created by admin on Wed Apr 02 17:11:08 GMT 2025 , Edited by admin on Wed Apr 02 17:11:08 GMT 2025

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FDA UNII

X4AS97J5JQ

Created by admin on Wed Apr 02 17:11:08 GMT 2025 , Edited by admin on Wed Apr 02 17:11:08 GMT 2025

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EPA CompTox

DTXSID10747439

Created by admin on Wed Apr 02 17:11:08 GMT 2025 , Edited by admin on Wed Apr 02 17:11:08 GMT 2025

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PUBCHEM

71315296

Created by admin on Wed Apr 02 17:11:08 GMT 2025 , Edited by admin on Wed Apr 02 17:11:08 GMT 2025

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SUBSTANCE RECORD


					X4AS97J5JQ

Dehydro barnidipine