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Details

Stereochemistry ACHIRAL
Molecular Formula C32H30FNO5
Molecular Weight 527.5827
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TOMICORAT

SMILES

COC1=CC(OC(=O)C2=CC=CO2)=CC=C1C3=C(COC4=CC(F)=CC=C4C)C5=C(NC(C)(C)C=C5C)C=C3

InChI

InChIKey=MQHGWZXZNWRXRE-UHFFFAOYSA-N
InChI=1S/C32H30FNO5/c1-19-8-9-21(33)15-28(19)38-18-25-23(12-13-26-30(25)20(2)17-32(3,4)34-26)24-11-10-22(16-29(24)36-5)39-31(35)27-7-6-14-37-27/h6-17,34H,18H2,1-5H3

HIDE SMILES / InChI

Molecular Formula C32H30FNO5
Molecular Weight 527.5827
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Tomicorat is an anti-inflammatory agent.

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 01:34:49 UTC 2023
Edited
by admin
on Thu Jul 06 01:34:49 UTC 2023
Record UNII
J05S86ZS6R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TOMICORAT
INN   USAN  
INN   USAN  
Official Name English
2-FURANCARBOXYLIC ACID, 4-(5-((5-FLUORO-2-METHYLPHENOXY)METHYL)-1,2-DIHYDRO-2,2,4-TRIMETHYL-6-QUINOLINYL)-3-METHOXYPHENYL ESTER
Common Name English
tomicorat [INN]
Common Name English
4-(5-((5-FLUORO-2-METHYLPHENOXY)METHYL)-2,2,4-TRIMETHYL-1,2-DIHYDROQUINOLIN-6-YL(-3-METHOXYPHENYL FURAN-2-CARBOXYLATE
Common Name English
TOMICORAT [USAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C257
Created by admin on Thu Jul 06 01:34:49 UTC 2023 , Edited by admin on Thu Jul 06 01:34:49 UTC 2023
Code System Code Type Description
CAS
1027099-03-1
Created by admin on Thu Jul 06 01:34:49 UTC 2023 , Edited by admin on Thu Jul 06 01:34:49 UTC 2023
PRIMARY
PUBCHEM
25008145
Created by admin on Thu Jul 06 01:34:49 UTC 2023 , Edited by admin on Thu Jul 06 01:34:49 UTC 2023
PRIMARY
INN
9696
Created by admin on Thu Jul 06 01:34:49 UTC 2023 , Edited by admin on Thu Jul 06 01:34:49 UTC 2023
PRIMARY
FDA UNII
J05S86ZS6R
Created by admin on Thu Jul 06 01:34:49 UTC 2023 , Edited by admin on Thu Jul 06 01:34:49 UTC 2023
PRIMARY
EPA CompTox
DTXSID40145464
Created by admin on Thu Jul 06 01:34:49 UTC 2023 , Edited by admin on Thu Jul 06 01:34:49 UTC 2023
PRIMARY
NCI_THESAURUS
C152691
Created by admin on Thu Jul 06 01:34:49 UTC 2023 , Edited by admin on Thu Jul 06 01:34:49 UTC 2023
PRIMARY
SMS_ID
300000036839
Created by admin on Thu Jul 06 01:34:49 UTC 2023 , Edited by admin on Thu Jul 06 01:34:49 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY