Basic information
- CAS
22609-73-0- Standard SMILES
CCCOCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOCCC)C1c1cccc([N+](=O)[O-])c1- InChIKey
VZWXXKDFACOXNT-UHFFFAOYSA-N- Molecular formula
- C25H34N2O8
- Average molar mass
- 490.5 g/mol
- Monoisotopic mass
- 490.23151605
Names & identifiers
- Preferred name
- Niludipine
- IUPAC
- bis(2-propoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- Niludipine
- Molecular formula
- C25H34N2O8
- Molecular weight
- 490.55
Names & synonyms
Niludipine22609-73-0NiludipinBay a 7168Niludipinumniludipino9844OS3B0JDTXSID20945267RefChem:165933DTXCID6013735893,5-bis(2-propoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, bis(2-propoxyethyl)ester
Show more names
bay-a7168Niludipine USP/EP/BP(2-propoxyethyl)ester5-pyridinedicarboxylicacid,1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-bisbis(2-propoxyethyl)1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedi
245-120-6bis(2-propoxyethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateNilupidineBis(2-propoxyethyl) 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylateNiludipinaBAY-a 7168Niludipine [INN:BAN]Niludipinum [INN-Latin]
Database identifiers
- CAS
22609-73-0- PubChem CID
- 89767
- DTXSID
DTXSID20945267- ChEMBL
CHEMBL2106840- UNII
- 9844OS3B0J
- EC Number
- 245-120-6
- Nikkaji
- J11.491J
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 15
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 754
Physicochemical properties
- Melting point
- 83 · 83-86 °C
- Boiling point
- 585.03 °C · 585.03°C (rough estimate)
- Density
- 1.2745 · 1.2745 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- pka
- 2.6 · 2.60±0.70(Predicted)
- FDA UNII
- 9844 OS3B0J · 9844OS3B0J
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationA class of drugs that act by selective inhibition of calcium influx through cellular membranes.
Applications
UsesNiludipine has a strong hypotensive effect and a sustained negative inotropic and negative chronotropic effect, and can be used for angina pectoris.
Suppliers8 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
重庆卡兰医药有限公司[email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
1 records
Compound notes
Loading…