AG006I4Z

667463-85-6 | BIO-acetoxime (GSK-3 Inhibitor X)

AG006I4Z

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CAS Number	667463-85-6
Catalog Number	AG006I4Z(AGN-PC-0TLXMU)
Chemical Name	BIO-acetoxime (GSK-3 Inhibitor X)
IUPAC Name	[(E)-[2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino] acetate
InChI	InChI=1S/C18H12BrN3O3/c1-9(23)25-22-16-12-4-2-3-5-13(12)20-17(16)15-11-7-6-10(19)8-14(11)21-18(15)24/h2-8,21,24H,1H3/b22-16+
InChI Key	HUDSYNWJCPDHLL-CJLVFECKSA-N
MDL Number	MFCD09037533
Molecular Formula	C18H12BrN3O3
Molecular Weight	398.2102
SMILES	O=C1NC2=C(C=CC(Br)=C2)/C1=C3NC4=C(C=CC=C4)C/3=NOC(C)=O
Synonyms	6-bromoindirubin-3'-acetoxime, BIO-acetoxime, BIO-Acetoxime, 667463-85-6, indirubin deriv. 8a, GSK-3 Inhibitor X, BIO-acetoxime (GSK-3 Inhibitor X), 740841-15-0, AK198952, AC1O6YPC, 6-bromoindirubin-3 -acetoxime, BDBM7402, CHEMBL430226, [[(2Z)-2-(6-bromo-2-oxo-1H-indol-3-ylidene)indol-3-yl]amino] acetate, DTXSID20648024, EX-A2281, BIO-Acetoxime, >=98% (HPLC), IN1315, MFCD09037533, s7915, 6-BROMOINDIRUBIN-3'-ACETOXIME, AKOS024457841, AKOS025295610, HY-15356, RT-011514, (2 Z,3 E)-6-Bromoindirubin-3 -acetoxime, B5488, CS-0005983, (2Z,3E)-3-(acetoxyimino)-6'-bromo-[2,3'-biindolinylidene]-2'-one, [(E)-[(2Z)-2-(6-bromo-2-oxo-indolin-3-ylidene)indolin-3-ylidene]amino] acetate, 3-{3-[(Acetyloxy)amino]-2H-indol-2-ylidene}-6-bromo-1,3-dihydro-2H-indol-2-one, [(3E)-2-[(3Z)-6-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2,3-dihydro-1H-indol-3-ylidene]amino acetate, 3-{3-[(Acetyloxy)imino]-1,3-dihydro-2H-indol-2-ylidene}-6-bromo-1,3-dihydro-2H-indol-2-one, D0B3ZB, CID6538818, (2'Z,3'E)-6-Bromoindirubin-3'-acetoxime,

Complexity	608
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	397.006g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	398.216g/mol
Monoisotopic Mass	397.006g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	87A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H410
Packing Group	Ⅲ
Precautionary statements	P273-P501
UN Code	UN 3077

Certificate of Analysis

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