AG00732H

19350-66-4 | 3,4,5-Pyridinetricarboxylicacid, 1,4-dihydro-2,6-dimethyl-, 3,5-diethyl ester

AG00732H

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CAS Number	19350-66-4
Catalog Number	AG00732H(AGN-PC-0QM5NK)
Chemical Name	3,4,5-Pyridinetricarboxylicacid, 1,4-dihydro-2,6-dimethyl-, 3,5-diethyl ester
IUPAC Name	3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-4-carboxylic acid
InChI	InChI=1S/C14H19NO6/c1-5-20-13(18)9-7(3)15-8(4)10(11(9)12(16)17)14(19)21-6-2/h11,15H,5-6H2,1-4H3,(H,16,17)
InChI Key	USGQSNVLGQWBEC-UHFFFAOYSA-N
MDL Number	MFCD00417306
Molecular Formula	C14H19NO6
Molecular Weight	297.3038
SMILES	O=C(C1=C(C)NC(C)=C(C(OCC)=O)C1C(O)=O)OCC
Synonyms	AV-153, sodium 3,5-bis-ethoxycarbonyl-2,6,dimethyl-1,4-dihydropyridine-4-carboxylate, 3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine-4-carboxylic acid, 19350-66-4, 2,6-Dimethyl-1,4-dihydro-pyridine-3,4,5-tricarboxylic acid 3,5-diethyl ester, USGQSNVLGQWBEC-UHFFFAOYSA-N, BAS 00415410, AC1L52CG, AC1Q32PV, AC1Q63LO, Oprea1_487824, Oprea1_787334, MLS000105717, SCHEMBL3323518, CHEMBL3212864, DTXSID80276584, HMS2406K09, AV-153, MFCD00417306, STK364271, ZINC19229874, AKOS000114794, MCULE-2099896135, NE59955, 3,4,5-pyridinetricarboxylic acid, 1,4-dihydro-2,6-dimethyl-, 3,5-diethyl ester, AK388863, DS-13057, SMR000102694, ST007544, EU-0066676, UNM000000496801, EN300-00816, AB00074976-01, SR-01000388420, SR-01000388420-1, Z56896324, 4(H)-Pyridinoic acid, 3,5-dicarbethoxy-2,6-dimethyl-, 2,6-dimethyl-3,5-diethoxycarbonyl-1,4-dihydroisonicotinic acid, 3,5-Bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydro-4-pyridinecarboxylic acid, 3,5-Bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydro-4-pyridinecarboxylic acid #, AR-1E8897, CID168683, diethyl 2-(1,3-benzodioxol-5-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, 22162-51-2,

Complexity	492
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	297.121g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	297.307g/mol
Monoisotopic Mass	297.121g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	102A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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