AG001KJD

145084-28-2 | Urea, N-[(3R)-2,3-dihydro-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]-N'-(3-methylphenyl)-

AG001KJD

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CAS Number	145084-28-2
Catalog Number	AG001KJD(AGN-PC-0PWLNP)
Chemical Name	Urea, N-[(3R)-2,3-dihydro-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]-N'-(3-methylphenyl)-
IUPAC Name	1-(3-methylphenyl)-3-[(3R)-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea
InChI	InChI=1S/C32H28N4O3/c1-21-11-10-15-24(19-21)33-32(39)35-30-31(38)36(20-28(37)25-16-7-6-12-22(25)2)27-18-9-8-17-26(27)29(34-30)23-13-4-3-5-14-23/h3-19,30H,20H2,1-2H3,(H2,33,35,39)/t30-/m0/s1
InChI Key	YCXFHPUBGMMWJQ-PMERELPUSA-N
MDL Number	MFCD00917023
Molecular Formula	C32H28N4O3
Molecular Weight	516.5897
SMILES	N([C@@H]1N=C(C2=CC=CC=C2)C2=CC=CC=C2N(CC(C2=CC=CC=C2C)=O)C1=O)C(NC1=CC=CC(C)=C1)=O
UNII	772CP7W12N
Synonyms	1-(2,3-dihydro-1-(2'-methylphenacyl)-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-3-(3-methylphenyl)urea, YM 022, YM-022, YM022, 145084-28-2, YM 022, YM022, YM-022, UNII-772CP7W12N, CHEMBL115121, 772CP7W12N, C32H28N4O3, (R)-N-[2,3-DIHYDRO-1-[2-(2-METHYLPHENYL)-2-OXOETHYL]-2-OXO-5-PHENYL-1H-1,4-BENZODIAZEPIN-3-YL]-N'-(3-METHYLPHENYL)-UREA, 1-(2,3-Dihydro-1-(2'-methylphenacyl)-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-3-(3-methylphenyl)urea, Urea, N-(2,3-dihydro-1-(2-(2-methylphenyl)-2-oxoethyl)-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-N'-(3-methylphenyl)-, (R)-, Urea,N-[(3R)-2,3-dihydro-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]-N'-(3-methylphenyl)-, YM022 Racemate, AC1L3U1D, GTPL888, SCHEMBL2870373, CTK4C4361, YCXFHPUBGMMWJQ-PMERELPUSA-N, ZINC3786250, BDBM50056101, BN0552, PDSP1_000902, PDSP2_000888, AKOS027378207, KS-0000185N, NCGC00092280-01, CC-01172, DB-057828, LS-173231, YM 022, >=98% (HPLC), B6725, C-35594, J-008051, (R)-1-(2-Oxo-1-(2-oxo-2-(o-tolyl)ethyl)-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-(m-tolyl)urea, (R)-N-[2,3-Dihydro-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5phenyl-1H-1,4-benzodiazepin-3-yl]-N'-(3-methylphenyl)urea, (R,Z)-1-(2-oxo-1-(2-oxo-2-o-tolylethyl)-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolylurea, 1-(3-methylphenyl)-3-[(3R)-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea, 1-[(R)-2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-3-m-tolyl-urea, 3-(3-methylphenyl)-1-[(3R)-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea, r-1-(2,3-dihydro-1-(2-methylphenacyl)-2-oxo-5-phenyl-1h-1,4-benzodiazepin-3-yl)-3(3-methylphenyl)urea, Urea, N-[(3R)-2,3-dihydro-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]-N'-(3-methylphenyl)-, D05HYL, CID122130, C32-H28-N4-O3, -N-[2,3-DIHYDRO-1-[2- -2-OXOETHYL]-2-OXO-5-PHENYL-1H-1,4-BENZODIAZEPIN-3-YL]-N'- -UREA,

Complexity	913
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	516.216g/mol
Formal Charge	0
Heavy Atom Count	39
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	516.601g/mol
Monoisotopic Mass	516.216g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	90.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

Lot Number