AG000US2

130663-39-7 | (6S)-1-[[4-(Dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid

AG000US2

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CAS Number	130663-39-7
Catalog Number	AG000US2(AGN-PC-0PJAME)
Chemical Name	(6S)-1-[[4-(Dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
IUPAC Name	(6S)-1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
InChI	InChI=1S/C31H32N4O3/c1-21-16-22(14-15-26(21)33(2)3)18-34-20-32-25-19-35(28(31(37)38)17-27(25)34)30(36)29(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-16,20,28-29H,17-19H2,1-3H3,(H,37,38)/t28-/m0/s1
InChI Key	YSTVFDAKLDMYCR-NDEPHWFRSA-N
MDL Number	MFCD00896427
Molecular Formula	C31H32N4O3
Molecular Weight	508.6108
SMILES	C(N1C2=C(CN(C(C(C3=CC=CC=C3)C4=CC=CC=C4)=O)[C@H](C(O)=O)C2)N=C1)C5=CC(C)=C(N(C)C)C=C5
Synonyms	1-((4-(Dimethylamino)-3-methylphenyl)methyl)-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo(4,5-c)pyridine-6-carboxylic acid, EMA200, PD 123319, PD-123319, PD123319, PD123319, PD 123319, 130663-39-7, PD-123319, CHEBI:61014, C31H32N4O3, CHEMBL157946, (6S)-1-[4-(dimethylamino)-3-methylbenzyl]-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid, (S)-1-(4-(dimethylamino)-3-methylbenzyl)-5-(2,2-diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid, AC1NSKGQ, (S)-(+)-PD 123319, Epitope ID:140138, GTPL597, SCHEMBL668525, CHEMBL321820, PD-123319 ditrifluoroacetate, (6S)-1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid, BCP08027, EX-A2290, 2633AH, BDBM50282396, s7098, ZINC22015557, AKOS030526087, CS-1548, QC-5343, SB16509, 1H-Imidazo[4,5-c]pyridine-6-carboxylic acid, 1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-4,5,6,7-tetrahydro-, (6S)-, HY-10259, PD 123,319, SW220127-1, A13201, C15553, 130663-39-7,136676-91-0(TFASALT), (6S)-1-[(4-dimethylamino-3-methylphenyl)methyl]-5-[2,2-di(phenyl)acetyl]-6,7-dihydro-4H-imidazo[5,4-d]pyridine-6-carboxylic acid, (6S)-1-[[4-(Dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid, (S)-1-(4-Dimethylamino-3-methyl-benzyl)-5-diphenylacetyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid, D0F5VB, PD 123319 ditrifluoroacetate, EMA200, YSTVFDAKLDMYCR-NDEPHWFRSA-N, C31-H32-N4-O3, CID5311345, PD 123,319 DITRIFLUOROACETATE, C073402, 1-((4-(Dimethylamino)-3-methylphenyl)methyl)-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo(4,5-c)pyridine-6-carboxylic acid,

Complexity	791
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	508.247g/mol
Formal Charge	0
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	508.622g/mol
Monoisotopic Mass	508.247g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	78.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

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