Benidipine

CAS Registry Number®

105979-17-7
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CAS Name

Benidipine

Molecular Formula

C28H31N3O6

Molecular Mass

505.56

Cite this Page

Benidipine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=105979-17-7 (retrieved 2024-02-21) (CAS RN: 105979-17-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C28H31N3O6/c1-18-24(27(32)36-3)26(21-11-7-12-22(15-21)31(34)35)25(19(2)29-18)28(33)37-23-13-8-14-30(17-23)16-20-9-5-4-6-10-20/h4-7,9-12,15,23,26,29H,8,13-14,16-17H2,1-3H3/t23-,26-/s2

InChIKey

InChIKey=QZVNQOLPLYWLHQ-MKNUCDGGNA-N

SMILES

C(O[C@H]1CN(CC2=CC=CC=C2)CCC1)(=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)CCC2)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-[(3R)-1-(phenylmethyl)-3-piperidinyl] ester, (4R)-rel-
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl 1-(phenylmethyl)-3-piperidinyl ester, (R*,R*)-(±)-
  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, methyl (3R)-1-(phenylmethyl)-3-piperidinyl ester, (4R)-rel-
  • Benidipine
  • (±)-Benidipine

Deleted or Replaced CAS Registry Numbers

119114-94-2

CAS INSIGHTSTM
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