Barnidipine

CAS Registry Number®

104713-75-9
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CAS Name

Barnidipine

Molecular Formula

C27H29N3O6

Molecular Mass

491.54

Cite this Page

Barnidipine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=104713-75-9 (retrieved 2024-07-25) (CAS RN: 104713-75-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    137-139 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C27H29N3O6/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/h4-11,14,22,25,28H,12-13,15-16H2,1-3H3/t22-,25-/m0/s1

InChIKey

InChIKey=VXMOONUMYLCFJD-DHLKQENFSA-N

SMILES

C(O[C@@H]1CN(CC2=CC=CC=C2)CC1)(=O)C=3[C@H](C(C(OC)=O)=C(C)NC3C)C4=CC(N(=O)=O)=CC=C4

Canonical SMILES

O=C(OC)C1=C(NC(=C(C(=O)OC2CN(CC=3C=CC=CC3)CC2)C1C=4C=CC=C(C4)N(=O)=O)C)C

Other Names for this Substance

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-methyl 5-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl] ester, (4S)-
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 1-(phenylmethyl)-3-pyrrolidinyl ester, [S-(R*,R*)]-
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl (3S)-1-(phenylmethyl)-3-pyrrolidinyl ester, (4S)-
  • Mepirodipine
  • Barnidipine