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Details

Stereochemistry ACHIRAL
Molecular Formula C23H22ClNO3
Molecular Weight 395.879
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=OCECVTMNVSFNIW-UHFFFAOYSA-N
InChI=1S/C23H22ClNO3/c1-23(2)12-19-22(15-5-9-17(26)10-6-15)21(14-3-7-16(24)8-4-14)18(11-20(27)28)25(19)13-23/h3-10,26H,11-13H2,1-2H3,(H,27,28)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1H-PYRROLIZINE-5-ACETIC ACID, 6-(4-CHLOROPHENYL)-2,3-DIHYDRO-7-(4-HYDROXYPHENYL)-2,2-DIMETHYL-
Systematic Name English
LICOFELONE METABOLITE M4
Common Name English
6-(4-CHLOROPHENYL)-2,3-DIHYDRO-7-(4-HYDROXYPHENYL)-2,2-DIMETHYL-1H-PYRROLIZINE-5-ACETIC ACID
Systematic Name English
Code System Code Type Description
CAS
1033702-62-3
Created by admin on Sat Dec 16 18:37:43 GMT 2023 , Edited by admin on Sat Dec 16 18:37:43 GMT 2023
PRIMARY
PUBCHEM
22500686
Created by admin on Sat Dec 16 18:37:43 GMT 2023 , Edited by admin on Sat Dec 16 18:37:43 GMT 2023
PRIMARY
FDA UNII
2EYJ92CK7B
Created by admin on Sat Dec 16 18:37:43 GMT 2023 , Edited by admin on Sat Dec 16 18:37:43 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of LICOFELONE
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