AG001P1P

156897-06-2 | 1H-Pyrrolizine-5-acetic acid, 6-(4-chlorophenyl)-2,3-dihydro-2,2-dimethyl-7-phenyl-

AG001P1P

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CAS Number	156897-06-2
Catalog Number	AG001P1P(AGN-PC-07Y4OS)
Chemical Name	1H-Pyrrolizine-5-acetic acid, 6-(4-chlorophenyl)-2,3-dihydro-2,2-dimethyl-7-phenyl-
IUPAC Name	2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid
InChI	InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27)
InChI Key	UAWXGRJVZSAUSZ-UHFFFAOYSA-N
MDL Number	MFCD00929900
Molecular Formula	C23H22ClNO2
Molecular Weight	379.8793
SMILES	O=C(O)CC1=C(C2=CC=C(Cl)C=C2)C(C3=CC=CC=C3)=C4N1CC(C)(C)C4
UNII	P5T6BYS22Y
Synonyms	(2,2-dimethyl-6-(4-chlorophenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizine-5-yl)acetic acid, licofelone, ML 3000, ML-3000, Licofelone, 156897-06-2, ML-3000, Licofelone [INN], ML 3000, UNII-P5T6BYS22Y, BRN 6823674, C23H22ClNO2, P5T6BYS22Y, [6-(4-CHLOROPHENYL)-2,2-DIMETHYL-7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN-5-YL]ACETIC ACID, 6-(4-Chlorophenyl)-2,3-dihydro-2,2-dimethyl-7-phenyl-1H-pyrrolizine-5-acetic acid, CHEMBL300982, 2,2-Dimethyl-6-(4-chlorophenyl-7-phenyl-2,3-dihydro-1H-pyrrolizine-5-yl)acetic acid, 2,3-Dihydro-6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-1H-pyrrolizine-5-acetic acid, 2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid, (6-(4-Chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl)acetic acid, LCF, 1H-Pyrrolizine-5-acetic acid, 2,3-dihydro-6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-, 2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1h-pyrrolizin-5-yl)acetic acid, Licofelone, ML-3000, (2,2-dimethyl-6-(4-chlorophenyl)-7-phenyl-2,3-dihydro-1H-pyrrolizine-5-yl)acetic acid, MLS006011224, SCHEMBL237833, AC1L320X, CTK0I0298, KS-00000XLI, AOB3889, DTXSID40166154, UAWXGRJVZSAUSZ-UHFFFAOYSA-N, HMS3655D21, BCP06598, ZINC3805769, BDBM50038649, AKOS027250758, API0009245, DB04725, SB19520, NCGC00250374-01, NCGC00250374-02, BC678037, SC-20109, SMR004702985, AB0009976, AB2000523, LS-139092, RT-013578, FT-0670787, SW219543-1, Q-9198, AB01566204_02, 897L062, A809783, J-009352, [2-(4-Chloro-phenyl)-6,6-dimethyl-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]-acetic acid, 1H-Pyrrolizine-5-acetic acid, 6-(4-chlorophenyl)-2,3-dihydro-2,2-dimethyl-7-phenyl-, 1H-Pyrrolizine-5-aceticacid, 6-(4-chlorophenyl)-2,3-dihydro-2,2-dimethyl-7-phenyl-, 2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]ethanoic acid, 6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-ylacetic acid, null, D0N1SU, C23-H22-Cl-N-O2, CID133021, B1448, A11697, C088092, (6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1H-pyrrolizine-5-yl)-acetic acid, 2-[6-(4-Chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-dihydro-1H-pyrrolizin-5-yl]acetic acid,

Complexity	537
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	379.134g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	379.884g/mol
Monoisotopic Mass	379.134g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	42.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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