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Details

Stereochemistry RACEMIC
Molecular Formula C23H22ClNO3
Molecular Weight 395.879
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1H-PYRROLIZINE-5-ACETIC ACID, 6-(4-CHLOROPHENYL)-2,3-DIHYDRO-2-(HYDROXYMETHYL)-2-METHYL-7-PHENYL-

SMILES

CC1(CO)CN2C(CC(O)=O)=C(C(=C2C1)C3=CC=CC=C3)C4=CC=C(Cl)C=C4

InChI

InChIKey=YXBCQPMGSNLKKA-UHFFFAOYSA-N
InChI=1S/C23H22ClNO3/c1-23(14-26)12-19-22(15-5-3-2-4-6-15)21(16-7-9-17(24)10-8-16)18(11-20(27)28)25(19)13-23/h2-10,26H,11-14H2,1H3,(H,27,28)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1H-PYRROLIZINE-5-ACETIC ACID, 6-(4-CHLOROPHENYL)-2,3-DIHYDRO-2-(HYDROXYMETHYL)-2-METHYL-7-PHENYL-
Systematic Name English
LICOFELONE METABOLITE M2
Common Name English
Code System Code Type Description
PUBCHEM
22500662
Created by admin on Sat Dec 16 15:39:52 GMT 2023 , Edited by admin on Sat Dec 16 15:39:52 GMT 2023
PRIMARY
CAS
1033702-60-1
Created by admin on Sat Dec 16 15:39:52 GMT 2023 , Edited by admin on Sat Dec 16 15:39:52 GMT 2023
PRIMARY
FDA UNII
N592TK2WFT
Created by admin on Sat Dec 16 15:39:52 GMT 2023 , Edited by admin on Sat Dec 16 15:39:52 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of LICOFELONE
NIH
NCATS
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