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Details

Stereochemistry ACHIRAL
Molecular Formula C23H22ClNO2
Molecular Weight 379.879
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LICOFELONE

SMILES

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

InChI

InChIKey=UAWXGRJVZSAUSZ-UHFFFAOYSA-N
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)

HIDE SMILES / InChI
Molecular Formula C23H22ClNO2
Molecular Weight 379.879
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:37:21 UTC 2023
Edited
by admin
on Fri Dec 15 15:37:21 UTC 2023
Record UNII
P5T6BYS22Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LICOFELONE
INN   MART.   MI  
INN  
Official Name English
licofelone [INN]
Common Name English
ML 3000
Common Name English
(6-(4-CHLOROPHENYL)-2,2-DIMETHYL-7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZINE-5-YL)-ACETIC ACID
Systematic Name English
LICOFELONE [MART.]
Common Name English
LICOFELONE [MI]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1323
Created by admin on Fri Dec 15 15:37:21 UTC 2023 , Edited by admin on Fri Dec 15 15:37:21 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID40166154
Created by admin on Fri Dec 15 15:37:21 UTC 2023 , Edited by admin on Fri Dec 15 15:37:21 UTC 2023
PRIMARY
MESH
C088092
Created by admin on Fri Dec 15 15:37:21 UTC 2023 , Edited by admin on Fri Dec 15 15:37:21 UTC 2023
PRIMARY
MERCK INDEX
m6803
Created by admin on Fri Dec 15 15:37:21 UTC 2023 , Edited by admin on Fri Dec 15 15:37:21 UTC 2023
PRIMARY Merck Index
FDA UNII
P5T6BYS22Y
Created by admin on Fri Dec 15 15:37:21 UTC 2023 , Edited by admin on Fri Dec 15 15:37:21 UTC 2023
PRIMARY
INN
7786
Created by admin on Fri Dec 15 15:37:21 UTC 2023 , Edited by admin on Fri Dec 15 15:37:21 UTC 2023
PRIMARY
SMS_ID
100000127672
Created by admin on Fri Dec 15 15:37:21 UTC 2023 , Edited by admin on Fri Dec 15 15:37:21 UTC 2023
PRIMARY
DRUG BANK
DB04725
Created by admin on Fri Dec 15 15:37:21 UTC 2023 , Edited by admin on Fri Dec 15 15:37:21 UTC 2023
PRIMARY
WIKIPEDIA
LICOFELONE
Created by admin on Fri Dec 15 15:37:21 UTC 2023 , Edited by admin on Fri Dec 15 15:37:21 UTC 2023
PRIMARY
PUBCHEM
133021
Created by admin on Fri Dec 15 15:37:21 UTC 2023 , Edited by admin on Fri Dec 15 15:37:21 UTC 2023
PRIMARY
ChEMBL
CHEMBL300982
Created by admin on Fri Dec 15 15:37:21 UTC 2023 , Edited by admin on Fri Dec 15 15:37:21 UTC 2023
PRIMARY
EVMPD
SUB33729
Created by admin on Fri Dec 15 15:37:21 UTC 2023 , Edited by admin on Fri Dec 15 15:37:21 UTC 2023
PRIMARY
CAS
156897-06-2
Created by admin on Fri Dec 15 15:37:21 UTC 2023 , Edited by admin on Fri Dec 15 15:37:21 UTC 2023
PRIMARY
NCI_THESAURUS
C63957
Created by admin on Fri Dec 15 15:37:21 UTC 2023 , Edited by admin on Fri Dec 15 15:37:21 UTC 2023
PRIMARY
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Structure of .BETA.-D-GLUCOPYRANURONIC ACID, 1-(6-(4-CHLOROPHENYL)-2,3-DIHYDRO-2-(HYDROXYMETHYL)-2-METHYL-7-PHENYL-1H-PYRROLIZINE-5-ACETATE)
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Structure of 1H-PYRROLIZINE-5-ACETIC ACID, 6-(4-CHLOROPHENYL)-2,3-DIHYDRO-2-(HYDROXYMETHYL)-2-METHYL-7-PHENYL-
METABOLITE -> PARENT
Structure of .BETA.-D-GLUCOPYRANURONIC ACID, 1-(6-(4-CHLOROPHENYL)-2,3-DIHYDRO-7-(4-HYDROXYPHENYL)-2,2-DIMETHYL-1H-PYRROLIZINE-5-ACETATE)
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Structure of .BETA.-D-GLUCOPYRANURONIC ACID, 1-(6-(4-CHLOROPHENYL)-2,3-DIHYDRO-2,2-DIMETHYL-7-PHENYL-1H-PYRROLIZINE-5-ACETATE)
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Structure of 1H-PYRROLIZINE-5-ACETIC ACID, 6-(4-CHLOROPHENYL)-2,3-DIHYDRO-7-(4-HYDROXYPHENYL)-2,2-DIMETHYL-
METABOLITE -> PARENT
Related Record Type Details
Structure of LICOFELONE
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Tmax PHARMACOKINETIC
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