Benidipine hydrochlorideProduct ingredient for Benidipine
- Name
- Benidipine hydrochloride
- Drug Entry
- Benidipine
Benidipine has the formula 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridine-dicarboxylic acid methyl 1-(phenylmethyl)-3-piperidinyl ester hydrochloride. It is a synthetic dihydropyridine derivative that has anti-hypertensive and anti-anginal actions.1 It was originated in Japan by Kyowa Hakko, it is submitted for FDA approval and it is currently available in some Asian countries like India and Japan.4,5
- Accession Number
- DBSALT001267
- Structure
Structure for Benidipine hydrochloride (DBSALT001267)
- Synonyms
- Benidipine HCl
- UNII
- 0A6746FWDL
- CAS Number
- 91599-74-5
- Weight
- Average: 542.03
Monoisotopic: 541.1979635 - Chemical Formula
- C28H32ClN3O6
- InChI Key
- KILKDKRQBYMKQX-MIPPOABVSA-N
- InChI
- InChI=1S/C28H31N3O6.ClH/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;1H/t23-,26-;/m1./s1
- IUPAC Name
- 3-(3R)-1-benzylpiperidin-3-yl 5-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate hydrochloride
- SMILES
- Cl.[H][C@]1(CCCN(CC2=CC=CC=C2)C1)OC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@]1([H])C1=CC(=CC=C1)N(=O)=O
- External Links
- ChemSpider
- 571012
- ChEMBL
- CHEMBL2359165
- Predicted Properties
Property Value Source Water Solubility 0.00243 mg/mL ALOGPS logP 4.28 ALOGPS logP 4.02 Chemaxon logS -5.3 ALOGPS pKa (Strongest Acidic) 19.47 Chemaxon pKa (Strongest Basic) 7.89 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 113.69 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 142.01 m3·mol-1 Chemaxon Polarizability 53.35 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon