Basic information
- CAS
119413-55-7- Standard SMILES
CC1=C(C(=O)OCCN(C)Cc2ccc(F)cc2)C(c2cccc3c2OCO3)C(C(=O)OC(C)C)=C(C)N1- InChIKey
ZGRIPYHIFXGCHR-UHFFFAOYSA-N- Molecular formula
- C29H33FN2O6
- Average molar mass
- 524.6 g/mol
- Monoisotopic mass
- 524.23226494
Overview
structure given in first source
Names & identifiers
- Preferred name
- Elgodipine
- IUPAC
- 3-O-[2-[(4-fluorophenyl)methyl-methylamino]ethyl] 5-O-propan-2-yl 4-(1,3-benzodioxol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- Elgodipine
- Molecular formula
- C29H33FN2O6
- Molecular weight
- 524.58
Names & synonyms
Elgodipine119413-55-7ElgodipinoElgodipinum3JI11Z5REF3,5-Pyridinedicarboxylic acid, 4-(1,3-benzodioxol-4-yl)-1,4-dihydro-2,6-dimethyl-, 2-(((4-fluorophenyl)methyl)methylamino)ethyl 1-methylethyl ester, (+-)-RefChem:136499isopropyl (2-(N-methyl-N-(4-fluorobenzyl)amine)ethyl-2,6-dimethyl-4-(2',3'-methylenedioxyphenyl)-1,5-dihydropyridine-3,5-dicarboxylate)Elgodipine [INN]3-O-[2-[(4-fluorophenyl)methyl-methylamino]ethyl] 5-O-propan-2-yl 4-(1,3-benzodioxol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylateElgodipinum [INN-Latin]Elgodipino [INN-Spanish]
Show more names
2,6-Dimethyl-4-(2,3-methylenebisoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-isopropyl 5-[2-[methyl(4-fluorobenzyl)amino]ethyl] ester4-(1,3-Benzodioxol-4-yl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic acid 3-[2-[[(4-fluorophenyl)methyl]methylamino]ethyl]5-isopropyl ester3,5-Pyridinedicarboxylic acid, 4-(1,3-benzodioxol-4-yl)-1,4-dihydro-2,6-dimethyl-, 3-[2-[[(4-fluorophenyl)methyl]methylamino]ethyl] 5-(1-methylethyl) ester
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 86.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 926
Physicochemical properties
- FDA UNII
- 3 JI11Z5REF · 3JI11Z5REF
Chemistry & industry
Applications
UsesElgodipine (IQB-875 free base) is an orally active dihydropyridine calcium antagonist and an antianginal compound. Elgodipine inhibits both T- and L-type calcium channels (IC50: 32 and 2.3 nM). Elgodipine lowers systemic vascular resistance and improves systolic cardiac function[1][2][3].
Suppliers5 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
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Compound notes
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