AG003P9P

84378-44-9 | 8-Fluoro-5-methyl-6-oxo-5,6-dihydro-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylic acid

AG003P9P

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CAS Number	84378-44-9
Catalog Number	AG003P9P(AGN-PC-0JMNXM)
Chemical Name	8-Fluoro-5-methyl-6-oxo-5,6-dihydro-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylic acid
IUPAC Name	8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
InChI	InChI=1S/C13H10FN3O3/c1-16-5-10-11(13(19)20)15-6-17(10)9-3-2-7(14)4-8(9)12(16)18/h2-4,6H,5H2,1H3,(H,19,20)
InChI Key	SFVXVWJBSJCRJO-UHFFFAOYSA-N
MDL Number	MFCD08061420
Molecular Formula	C13H10FN3O3
Molecular Weight	275.2352
SMILES	O=C(C1=C(CN2C)N(C=N1)C3=CC=C(F)C=C3C2=O)O
UNII	PBH0H721NV
Synonyms	desethylflumazenyl, Ro 15-3890, Ro-15-3890, 84378-44-9, desethylflumazenyl, Flumazenil acid, Ro 15-3890, UNII-PBH0H721NV, PBH0H721NV, Ro-15-3890, 8-Fluoro-5-methyl-6-oxo-5,6-dihydro-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylic acid, 8-fluoro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid, 4H-Imidazo[1,5-a][1,4]benzodiazepine-3-carboxylicacid, 8-fluoro-5,6-dihydro-5-methyl-6-oxo-, 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4h-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid, A1-01964, Flumazenil Carboxylic Acid, C13H10FN3O3, 4H-Imidazo(1,5-a)(1,4)benzodiazepine-3-carboxylic acid, 8-fluoro-5,6-dihydro-5-methyl-6-oxo-, 4H-IMIDAZO[1,5-A][1,4]BENZODIAZEPINE-3-CARBOXYLIC ACID, 8-FLUORO-5,6-DIHYDRO-5-METHYL-6-OXO-, AC1Q4OAU, ACMC-20dd51, Flumazenil Related Compound A, AC1L356P, IMI015, SCHEMBL7332740, CTK3E9454, DTXSID60233357, SFVXVWJBSJCRJO-UHFFFAOYSA-N, BCP21729, ZINC5115444, MFCD08061420, AKOS027381067, TRA0062315, 8-fluoro-5,6-dihydro-5-methyl-6-oxo-4H-Imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid, KS-0000006Y, AK394045, FT-0751890, Y0390, A14349, AR-1H4566, C13-H10-F-N3-O3, CID134757, 90149-88-5,

Complexity	433
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	275.071g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	275.239g/mol
Monoisotopic Mass	275.071g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	75.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

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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