AG00392N

223387-75-5 | N-[(1-Chloro-4-hydroxy-3-isoquinolinyl)carbonyl]glycine

AG00392N

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CAS Number	223387-75-5
Catalog Number	AG00392N(AGN-PC-0LVEBM)
Chemical Name	N-[(1-Chloro-4-hydroxy-3-isoquinolinyl)carbonyl]glycine
IUPAC Name	2-[(1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid
InChI	InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)
InChI Key	OUQVKRKGTAUJQA-UHFFFAOYSA-N
MDL Number	MFCD23136998
Molecular Formula	C12H9ClN2O4
Molecular Weight	280.6639
SMILES	ClC1=NC(=C(C2=CC=CC=C12)O)C(=O)NCC(=O)O
UNII	RU921DS4Z5
Synonyms	2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)acetate, 2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)acetic acid, FG-2216, 223387-75-5, FG2216, UNII-RU921DS4Z5, N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE, CHEMBL426560, RU921DS4Z5, 2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)acetic acid, UN9, N-[(1-Chloro-4-hydroxy-3-isoquinolinyl)carbonyl]glycine, Glycine, N-[(1-chloro-4-hydroxy-3-isoquinolinyl)carbonyl]-, 2-[(1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]acetic acid, Isoquinoline 3, 4bqx, OUQVKRKGTAUJQA-UHFFFAOYSA-N, AC1OCAFL, 4ie6, SCHEMBL522744, ZINC7670, 2y34, (((1-Chloro-4-hydroxyisoquinolin-3-yl)carbonyl)amino)acetic acid, AOB87331, BCP15220, EX-A2247, BIQ, >=98% (HPLC), 1-Chloro-N- (hydroxyformylmethyl-4-hydroxyisoquinoline-3-carboxamide, 1-Chloro-N-(hydroxyformylmethyl-4-hydroxyisoquinoline-3-carboxamide, BDBM50193145, MFCD23136998, s7979, YM 311, YM-311, AKOS026750490, CS-4210, DB08687, FG-2216; YM-311, AK323688, AS-17015, BC600745, HY-15641, B5851, N-((1-Chloro-4-hydroxyisoquinoline-3-yl)carbonyl)glycine, [(1-Chloro-4-hydroxy-3-isoquinolinyl)carbonylamino]acetic acid, 2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido) acetic acid, 2-[(1-chloro-4-hydroxyisoquinolin-3-yl)formamido]acetic acid, [(1-Chloro-4-hydroxy-isoquinoline-3-carbonyl)-amino]-acetic acid, 1019198-16-3, CID6914666, A15530, 1-methyl-7-(trifluoromethyl)-2,3-dihydroquinolin-4(1H)-one,

Complexity	366
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	280.025g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	280.664g/mol
Monoisotopic Mass	280.025g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	99.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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