BAY-m 4786
Completing data — refresh the page later to see the latest
Basic information
- CAS
89267-41-4- Standard SMILES
CCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cccc([N+](=O)[O-])c1- InChIKey
YEHVABIPGJLMET-UHFFFAOYSA-N- Molecular formula
- C18H18N2O6
- Average molar mass
- 358.3 g/mol
- Monoisotopic mass
- 358.1164863
Overview
inactive pyridine analog nitrendipine metabolite
Names & identifiers
- Preferred name
- BAY-m 4786
- IUPAC
- 3-O-ethyl 5-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
- English name
- Dehydronitrendipine
- Molecular formula
- C18H18N2O6
- Molecular weight
- 358.35
Names & synonyms
89267-41-4Bay-m 4786Bay m 4786RefChem:916765Nitrendipine M (dehydro)Dehydronitrendipine3-ETHYL 5-METHYL 2,6-DIMETHYL-4-(3-NITROPHENYL)PYRIDINE-3,5-DICARBOXYLATENitrendipine EP Impurity A3-O-ethyl 5-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate2,6-Dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid ethyl methyl esterEthyl Methyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate; Nitrendipine Imp. A (EP); Photolysis Product of Nitrendipine; Nitrendipine Impurity ANitrendipine impurity A
Show more names
Nitrendipine Impurity1223Ethyl Methyl 2,6-Dimethyl-4-(3-nitrNitrendipine EP Impurity A (Dehydro Nitrendipine)Nitrendipine Impurity 5 (Nitrendipine EP Impurity A)
Nitrendipine impurity A CRSHB69Z4BNU2SCHEMBL6956135DTXSID80237599YEHVABIPGJLMET-UHFFFAOYSA-Nethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylateAKOS015964749ID57949
Database identifiers
- CAS
89267-41-4- PubChem CID
- 146012
- DTXSID
DTXSID80237599- UNII
- HB69Z4BNU2
- Nikkaji
- J331.426J
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 534
Physicochemical properties
- Melting point
- 59 · 59-61℃
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- color
- White to Off-White
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C18H18N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9H,5H2,1-4H3
- InChIKey
- YEHVABIPGJLMET-UHFFFAOYSA-N
- SMILES
- [N+](=O)([O-])c1cc(ccc1)c2c(c(nc(c2C(=O)OC)C)C)C(=O)OCC
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
Chemistry & industry
Pharmacology
Metabolism/MetabolitesNitrendipine M (dehydro) is a known human metabolite of 3,5-pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, ethyl methyl ester, (4r)-.
Applications
UsesDehydronitrendipine is a derivative of Nitrendipine (N490150), a dihydropyridine calcium channel blocker. Nitrendipine is used in the treatment of primary (essential) hypertension to decrease blood pressure. Antihypertensive.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…