AG003ATK

1194506-26-7 | 6-[(6,7-Dimethoxy-4-quinazolinyl)oxy]-N,2-dimethyl-3-benzofurancarboxamide

AG003ATK

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CAS Number	1194506-26-7
Catalog Number	AG003ATK(AGN-PC-0WGD0J)
Chemical Name	6-[(6,7-Dimethoxy-4-quinazolinyl)oxy]-N,2-dimethyl-3-benzofurancarboxamide
IUPAC Name	6-(6,7-dimethoxyquinazolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
InChI	InChI=1S/C21H19N3O5/c1-11-19(20(25)22-2)13-6-5-12(7-16(13)28-11)29-21-14-8-17(26-3)18(27-4)9-15(14)23-10-24-21/h5-10H,1-4H3,(H,22,25)
InChI Key	BALLNEJQLSTPIO-UHFFFAOYSA-N
MDL Number	MFCD28502149
Molecular Formula	C21H19N3O5
Molecular Weight	393.3927
SMILES	COC=1C=C2C(=NC=NC2=CC1OC)OC1=CC2=C(C(=C(O2)C)C(=O)NC)C=C1
UNII	49DXG3M5ZW
Synonyms	fruquintinib, HMPL-013, Fruquintinib, 1194506-26-7, HMPL-013, Fruquintinib(HMPL-013), UNII-49DXG3M5ZW, 49DXG3M5ZW, Fruquintinib (HMPL-013), HMPL013, 6-(6,7-dimethoxyquinazolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide, 6-(6,7-dimethoxyquinazolin-4-yloxy)-N,2-dimethylbenzofuran-3-carboxamide, Fruquintinib [WHO-DD], Fruquintinib; HMPL-013, SCHEMBL947183, GTPL9428, HMPL 013, BALLNEJQLSTPIO-UHFFFAOYSA-N, BCP15692, EX-A2262, 3-Benzofurancarboxamide, 6-((6,7-dimethoxy-4-quinazolinyl)oxy)-N,2-dimethyl-, AKOS026750586, ZINC114898570, CS-5558, DB11679, SB17123, AK547072, HY-19912, B5864, A14393, 6-((6,7-dimethoxyquinazolin-4-yl)oxy)-N,2-dimethylbenzofuran-3-carboxamide, 6-[(6,7-Dimethoxy-4-quinazolinyl)oxy]-N,2-dimethyl-3-benzofurancarboxamide, 6-[(6,7-dimethoxyquinazolin-4-yl)oxy]-N,2-dimethyl-1-benzofuran-3-carboxamide,

Complexity	579
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	393.132g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	393.399g/mol
Monoisotopic Mass	393.132g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	95.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

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

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