Diethyl 4-(2,3-Dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate - CAS 79925-38-5

Name: Diethyl 4-(2,3-Dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB036426
Product Name:	Diethyl 4-(2,3-Dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CAS:	79925-38-5
Synonyms:	4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester; diethyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Application:	Nemadipine B (Felodipine EP Impurity C) is the diethyl ester analogue analogue of the calcium channel blocker Felodipine (F232375) with antihypertensive activity.

Technical Data

IUPAC Name:	diethyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Description:	A metabolite of Felodipine. Felodipine is a calcium channel blocker.
Molecular Weight:	398.28
Molecular Formula:	C19H21Cl2NO4
Canonical SMILES:	CCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OCC)C)C
InChI:	InChI=1S/C19H21Cl2NO4/c1-5-25-18(23)14-10(3)22-11(4)15(19(24)26-6-2)16(14)12-8-7-9-13(20)17(12)21/h7-9,16,22H,5-6H2,1-4H3
InChI Key:	BLLWOXSSRQPDAT-UHFFFAOYSA-N
Purity:	> 95 %
Appearance:	White to pale yellow solid
LogP:	4.68320

GHS Hazard Statement:	H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]; H373 (100%): Causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]; H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]; H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P203, P260, P273, P280, P318, P319, P391, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-111110854-A	Composition comprising a histamine release-promoting substance and an inhibitory compound	20190522
CN-111097050-A	Composition comprising fatty acid or derivative thereof and phenylpyridine derivative	20190424
KR-20090059569-A	Compounds and Methods for Identifying Compounds for Inhibition of Beta-amyloid Production	20071207
AU-2007269090-A1	Compounds and combinations thereof for inhibiting beta-amyloid production and methods of use thereof	20060706
CA-2655029-A1	Compounds and combinations thereof for inhibiting beta-amyloid production and methods of use thereof	20060706

Complexity:	589
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	397.0847635
Formal Charge:	0
Heavy Atom Count:	26
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	397.0847635
Rotatable Bond Count:	7
Topological Polar Surface Area:	64.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2