AG000ZIL

1316215-12-9 | 5-Pyrimidinecarboxamide, 2-[(2-chlorophenyl)phenylamino]-N-[7-(hydroxyamino)-7-oxoheptyl]-

AG000ZIL

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CAS Number	1316215-12-9
Catalog Number	AG000ZIL(AGN-PC-09QXFC)
Chemical Name	5-Pyrimidinecarboxamide, 2-[(2-chlorophenyl)phenylamino]-N-[7-(hydroxyamino)-7-oxoheptyl]-
IUPAC Name	2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide
InChI	InChI=1S/C24H26ClN5O3/c25-20-12-7-8-13-21(20)30(19-10-4-3-5-11-19)24-27-16-18(17-28-24)23(32)26-15-9-2-1-6-14-22(31)29-33/h3-5,7-8,10-13,16-17,33H,1-2,6,9,14-15H2,(H,26,32)(H,29,31)
InChI Key	VLIUIBXPEDFJRF-UHFFFAOYSA-N
MDL Number	MFCD28023593
Molecular Formula	C24H26ClN5O3
Molecular Weight	467.9479
SMILES	ClC1=C(C=CC=C1)N(C1=NC=C(C=N1)C(=O)NCCCCCCC(=O)NO)C1=CC=CC=C1
UNII	441P620G3P
Synonyms	Citarinostat, 1316215-12-9, ACY-241, HDAC-IN-2, 2-((2-Chlorophenyl)(phenyl)amino)-N-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide, Citarinostat (ACY-241), UNII-441P620G3P, 2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide, 441P620G3P, Citarinostat (USAN), Citarinostat [USAN], AK160199, 2-((2-Chlorophenyl)phenylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)-5-pyrimidinecarboxamide, 2-[(2-Chlorophenyl)phenylamino]-N-[7-(hydroxyamino)-7-oxoheptyl]-5-pyrimidinecarboxamide, 5-Pyrimidinecarboxamide, 2-((2-chlorophenyl)phenylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)-, 5-Pyrimidinecarboxamide, 2-[(2-chlorophenyl)phenylamino]-N-[7-(hydroxyamino)-7-oxoheptyl]-, citarinostat-acy-241, GTPL9426, SCHEMBL2225863, CHEMBL3693786, EX-A379, BDBM110036, BCP09545, KS-00000SJ8, MFCD28023593, s8464, ZINC98023187, AKOS024464693, ACN-030404, CS-5140, SB18732, Compound (I) [WO2016200919], HY-15994, AJ-138504, AX8293388, B5936, FT-0700440, D10918, J-690128, J-690129, 7-({2-[(2-chlorophenyl)(phenyl)amino]pyrimidin-5-yl}formamido)-N-hydroxyheptanamide, {4-[4-({3-[(2-Methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}amino)-4-oxobutyl]benzyl}malonic acid, US8609678, 2-((2-chlorophenyl)(phenyl)amino)-N-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide [89], A12758, N-(6-(hydroxycarbamoyl)hexyl)-2-(N-(2-chlorophenyl)-N-phenylamino)pyrimidine-5-carboxamide, 2-Methyl-1-[2-methyl-3-(trifluoromethyl)benzyl]-6-(4-morpholinyl)-1H-benzimidazole-4-carboxylic acid,

Complexity	597
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	467.172g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	467.954g/mol
Monoisotopic Mass	467.172g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	107A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words	unknown

Certificate of Analysis

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