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Substance Name: Benidipine [INN]
RN: 105979-17-7
UNII: 4G9T91JS7E
InChIKey: QZVNQOLPLYWLHQ-ZEQKJWHPSA-N

Classification Codes

  • Calcium Channel Blockers
  • Cardiovascular Agents
  • Membrane Transport Modulators
  • Vasodilator Agents

Molecular Formula

  • C28-H31-N3-O6

Molecular Weight

  • 505.5679
 
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Names and Synonyms

Name of Substance

  • Benidipine
  • Benidipine [INN]

Synonyms

  • (+-)-(R*)-3-((R*)-1-Benzyl-3-piperidyl) methyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate
  • Benidipine
  • Benidipino
  • Benidipino [Spanish]
  • Benidipinum
  • Benidipinum [Latin]
  • UNII-4G9T91JS7E

Systematic Name

  • (+-)-(R*)-3-((R*)-1-Benzyl-3-piperidyl) methyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate

Registry Numbers

CAS Registry Number

  • 105979-17-7

FDA UNII

  • 4G9T91JS7E

System Generated Number

  • 0105979177

Structure Descriptors

InChI

1S/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-/m1/s1

InChIKey

QZVNQOLPLYWLHQ-ZEQKJWHPSA-N

Smiles

COC(=O)C1=C(C)NC(=C([C@@H]1c2cccc(c2)[N+](=O)[O-])C(=O)O[C@@H]3CCCN(Cc4ccccc4)C3)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.61 (none)   EXP
Water Solubility 0.316 mg/L 25 EST
Vapor Pressure 1.91E-13 mm Hg 25 EST
Henry's Law Constant 3.02E-18 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.20E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.