AG0039AB

1335210-23-5 | 1-(2,2-Dimethoxyethyl)-1,4-dihydro-3-methoxy-4-oxo-2,5-pyridinedicarboxylic acid 2-methyl ester

AG0039AB

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CAS Number	1335210-23-5
Catalog Number	AG0039AB(AGN-PC-0WAMJJ)
Chemical Name	1-(2,2-Dimethoxyethyl)-1,4-dihydro-3-methoxy-4-oxo-2,5-pyridinedicarboxylic acid 2-methyl ester
IUPAC Name	1-(2,2-dimethoxyethyl)-5-methoxy-6-methoxycarbonyl-4-oxopyridine-3-carboxylic acid
InChI	InChI=1S/C13H17NO8/c1-19-8(20-2)6-14-5-7(12(16)17)10(15)11(21-3)9(14)13(18)22-4/h5,8H,6H2,1-4H3,(H,16,17)
InChI Key	XAXGEECGULRZGN-UHFFFAOYSA-N
MDL Number	MFCD28978322
Molecular Formula	C13H17NO8
Molecular Weight	315.2760
SMILES	COC(=O)C=1N(C=C(C(C1OC)=O)C(=O)O)CC(OC)OC
Synonyms	1335210-23-5, 1-(2,2-dimethoxyethyl)-5-methoxy-6-(methoxycarbonyl)-4-oxo-1,4-dihydropyridine-3-carboxylic acid, Dolutegravir intermediate-1, 1-(2,2-Dimethoxyethyl)-1,4-dihydro-3-methoxy-4-oxo-2,5-pyridinedicarboxylic acid 2-methyl ester, Dulotegravir Me-N-4, SCHEMBL2415069, KS-00000LGD, XAXGEECGULRZGN-UHFFFAOYSA-N, BCP15319, MFCD28978322, AKOS027339716, ZINC118844009, 1-[2,2-Bis(methyloxy)ethyl]-5-(methyloxy)-6-[(methyloxy)carbonyl]-4-oxo-1,4-dihydro-3-pyridinecarboxylic acid, AK342700, DS-12376, SY103843, HY-100083, CS-0018060, MFCD28978322 (95%), 1-(2,2-dimethoxyethyl)-5-methox y-6-(methoxycarbonyl)-4-oxo-1,4, 6-carbomethoxy-1-(2,2-dimethoxyethyl)-4-keto-5-methoxy-nicotinic acid, 1-(2,2-dimethoxyethyl)-5-methoxy-6-methoxycarbonyl-4-oxo-3-pyridinecarboxylic acid, 1-(2,2-dimethoxyethyl)-5-methoxy-6-methoxycarbonyl-4-oxo-pyridine-3-carboxylic acid, 1-(2,2-dimethoxyethyl)-5-methoxy-6-methoxycarbonyl-4-oxopyridine-3-carboxylic acid, 1-(2,2-Dimethoxyethyl)-1,4-dihydro-3-methoxy-4-oxo-2,5-pyridinedicarboxylic acid 2-methyl este, 1-(2,2-dimethoxyethyl)-5-methoxy-6-methoxycarbonyl-4-oxidanylidene-pyridine-3-carboxylic acid, -dihydropyridine-3-carboxylic acid, ACN-041358,

Complexity	532
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	315.095g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	315.278g/mol
Monoisotopic Mass	315.095g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	112A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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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