AG0058CM

76093-33-9 | (R)-5-(Methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

AG0058CM

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CAS Number	76093-33-9
Catalog Number	AG0058CM(AGN-PC-0U8XV8)
Chemical Name	(R)-5-(Methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid
IUPAC Name	(4R)-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid
InChI	InChI=1S/C16H16N2O6/c1-8-12(15(19)20)14(13(9(2)17-8)16(21)24-3)10-5-4-6-11(7-10)18(22)23/h4-7,14,17H,1-3H3,(H,19,20)/t14-/m1/s1
InChI Key	JPXPPUOCSLMCHK-CQSZACIVSA-N
MDL Number	MFCD09952191
Molecular Formula	C16H16N2O6
Molecular Weight	332.3080
SMILES	O=C(C1=C(C)NC(C)=C(C(OC)=O)[C@@H]1C2=CC=CC([N+]([O-])=O)=C2)O
Synonyms	76093-33-9, (R)-(-)-1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-3,5-PYRIDINEDICARBOXYLIC ACID MONOMETHYL ESTER, (4r)-5-(methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid, (R)-5-(Methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid, (4R)-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid, (4r)-1,4-dihydro-2,6-dimethyl-3-methyloxycarbonyl-4-(3-nitrophenyl)-pyridine-5-carboxylic acid, 3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-methyl ester, (4R)-, JPXPPUOCSLMCHK-CQSZACIVSA-N, AK167879, AC1Q5YKR, AC1LF87C, SCHEMBL4654952, CTK5E2458, DTXSID20353702, 3,5-Pyridinedicarboxylicacid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-methyl ester, (4S)-, MFCD09952191, QC-231, ZINC19314837, AKOS025287487, DS-9584, SB21126, AJ-72834, CS-0053182, FT-0666971, A838606, UNII-5DU0E310OI component JPXPPUOCSLMCHK-CQSZACIVSA-N, (R)-2,6-dimethyl-3-carbomethoxy-4-(3-nitrophenyl)-5-carboxy-1,4-dihydropyridine, (R)-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid, (-)-1,4-Dihydro-5-(methoxycarbonyl)-2,6-dimethyl-4-(3-nitrophenyl)-3-pyridinecarboxylic Acid, (4R)-1,4-dihydro-2,6-dimethyl-3-methyloxycarbonyl-4-(3-nitrophenyl) pyridine-5-carboxylic acid, 1,4-Dihydro-2,6-dimethyl-4beta-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid 5-methyl ester, KST-1A8150, AR-1A5994, CID748472, ACN-028601, BAS 00381439, 7693-41-6, 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, 3-methyl ester, (4R)-, 76093-34-0,

Complexity	631
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	332.101g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	332.312g/mol
Monoisotopic Mass	332.101g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	121A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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