AG009CEO

1433953-83-3 | 1,8-Naphthyridine-3-carboxamide, 2-amino-1-ethyl-1,4-dihydro-7-[(3R)-3-hydroxy-4-methoxy-3-methyl-1-butyn-1-yl]-N-methyl-4-oxo-

AG009CEO

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CAS Number	1433953-83-3
Catalog Number	AG009CEO
Chemical Name	1,8-Naphthyridine-3-carboxamide, 2-amino-1-ethyl-1,4-dihydro-7-[(3R)-3-hydroxy-4-methoxy-3-methyl-1-butyn-1-yl]-N-methyl-4-oxo-
IUPAC Name	2-amino-1-ethyl-7-[(3R)-3-hydroxy-4-methoxy-3-methylbut-1-ynyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
InChI	InChI=1S/C18H22N4O4/c1-5-22-15(19)13(17(24)20-3)14(23)12-7-6-11(21-16(12)22)8-9-18(2,25)10-26-4/h6-7,25H,5,10,19H2,1-4H3,(H,20,24)/t18-/m1/s1
InChI Key	PFMPOBVAYMTUOX-GOSISDBHSA-N
MDL Number	MFCD23098773
Molecular Formula	C18H22N4O4
Molecular Weight	358.3917
SMILES	NC=1N(C2=NC(=CC=C2C(C1C(=O)NC)=O)C#C[C@@](COC)(C)O)CC
Synonyms	SAR131675, SAR131675, 1433953-83-3, (R)-2-amino-1-ethyl-7-(3-hydroxy-4-methoxy-3-methylbut-1-yn-1-yl)-N-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide, 1092539-44-0, (3S,4AS,8aS)-N-(1,1-Dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylthio)butyl]-3-isoquinolinecarboxamidemethanesulf, SAR-131675, SCHEMBL15668398, AOB5918, SYN1165, HMS3651B17, EX-A2154, 2701AH, s2842, ZINC89630340, AKOS030231683, CS-0970, SAR 131675, SB19357, AK547384, AS-16301, BC600340, HY-15458, FT-0773197, SW219944-1, A13377, W-5988, 2-Amino-1-ethyl-7-[(3R)-3-hydroxy-4-methoxy-3-methylbut-1-ynyl]-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide, D08GBT, PFMPOBVAYMTUOX-GOSISDBHSA-N, C18H22N4O4, VEGFR3 tyrosine kinase inhibitor (cancer), sanofi-aventis, 1092539-44-0 ( or 1433953-83-3), 159989-65-8, 2-Amino-1-ethyl-7-(3-hydroxy-4-methoxy-3-methyl-1-butyn-1-yl)-N-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide;, N/A,

Complexity	677
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	358.164g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	358.398g/mol
Monoisotopic Mass	358.164g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	118A^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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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