AG000ZIN

1316214-52-4 | 7-{[2-(Diphenylamino)pyrimidin-5-yl]formamido}-N-hydroxyheptanamide

AG000ZIN

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CAS Number	1316214-52-4
Catalog Number	AG000ZIN(AGN-PC-09QXLN)
Chemical Name	7-{[2-(Diphenylamino)pyrimidin-5-yl]formamido}-N-hydroxyheptanamide
IUPAC Name	N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide
InChI	InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)
InChI Key	QGZYDVAGYRLSKP-UHFFFAOYSA-N
MDL Number	MFCD22666356
Molecular Formula	C24H27N5O3
Molecular Weight	433.5029
SMILES	C1(=CC=CC=C1)N(C1=NC=C(C=N1)C(=O)NCCCCCCC(=O)NO)C1=CC=CC=C1
UNII	WKT909C62B
Synonyms	2-(diphenylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide, ACY-1215, ricolinostat, rocilinostat, 1316214-52-4, ACY-1215, Ricolinostat, Rocilinostat, 2-(Diphenylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide, Rocilinostat (ACY-1215), UNII-WKT909C62B, ACY-63, WKT909C62B, 2-(Diphenylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]-5-pyrimidinecarboxamide, AK151416, N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide, 2-(diphenylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide, Ricolinostat [USAN:INN], 5-Pyrimidinecarboxamide, 2-(diphenylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)-, 5-Pyrimidinecarboxamide, 2-(diphenylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]-, AH4, rocilinostat-acy-1215, Ricolinostat (USAN/INN), Ricolinostat (ACY-1215), MLS006011181, SCHEMBL574580, GTPL7010, CHEMBL2364628, CHEBI:95073, KS-00000SAV, ACY1215, DTXSID40157148, EX-A139, HMS3653F17, BCP06028, BDBM50439674, MFCD22666356, s8001, ZINC89630354, AKOS024259260, ACN-030031, CS-0965, DB12376, SB17054, NCGC00345802-01, NCGC00345802-05, AC-30258, BC600387, HY-16026, SMR004702950, AB0032517, AJ-128539, AX8288032, ST24039648, SW219836-1, X5832, A11940, D10661, W-5979, J-690127, 7-{[2-(DIPHENYLAMINO)PYRIMIDIN-5-YL]FORMAMIDO}-N-HYDROXYHEPTANAMIDE, US8609678, 2-(diphenylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide [26], Coluracetam, Ricolinostat [USAN], D0TP9M, cc-661, C24H27N5O3, A4083, N-(6-(hydroxycarbamoyl)hexyl)-2-(diphenylamino)pyrimidine-5-carboxamide,

Complexity	538
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	433.211g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	433.512g/mol
Monoisotopic Mass	433.211g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	107A^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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