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Details

Stereochemistry ACHIRAL
Molecular Formula C25H24F2N2O3
Molecular Weight 438.4665
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TUROFEXORATE ISOPROPYL

SMILES

CC(C)OC(=O)C1=CN(CC(C)(C)C2=C1NC3=C2C=CC=C3)C(=O)C4=CC=C(F)C(F)=C4

InChI

InChIKey=INASOKQDNHHMRE-UHFFFAOYSA-N
InChI=1S/C25H24F2N2O3/c1-14(2)32-24(31)17-12-29(23(30)15-9-10-18(26)19(27)11-15)13-25(3,4)21-16-7-5-6-8-20(16)28-22(17)21/h5-12,14,28H,13H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C25H24F2N2O3
Molecular Weight 438.4665
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:23:09 UTC 2023
Edited
by admin
on Sat Dec 16 17:23:09 UTC 2023
Record UNII
S6KDM312I5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TUROFEXORATE ISOPROPYL
INN   USAN   WHO-DD  
INN   USAN  
Official Name English
FXR-450
Code English
Isopropyl 3-(3,4-difluorobenzoyl)-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
Systematic Name English
XL-335
Code English
XL335
Code English
AZEPINO(4,5-B)INDOLE-5-CARBOXYLIC ACID, 3-(3,4-DIFLUOROBENZOYL)-1,2,3,6-TETRAHYDRO-1,1-DIMETHYL-,1-METHYLETHYL ESTER
Common Name English
TUROFEXORATE ISOPROPYL [USAN]
Common Name English
WAY-362450
Code English
turofexorate isopropyl [INN]
Common Name English
Turofexorate isopropyl [WHO-DD]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29703
Created by admin on Sat Dec 16 17:23:09 UTC 2023 , Edited by admin on Sat Dec 16 17:23:09 UTC 2023
Code System Code Type Description
DRUG BANK
DB12719
Created by admin on Sat Dec 16 17:23:09 UTC 2023 , Edited by admin on Sat Dec 16 17:23:09 UTC 2023
PRIMARY
CAS
629664-81-9
Created by admin on Sat Dec 16 17:23:09 UTC 2023 , Edited by admin on Sat Dec 16 17:23:09 UTC 2023
PRIMARY
FDA UNII
S6KDM312I5
Created by admin on Sat Dec 16 17:23:09 UTC 2023 , Edited by admin on Sat Dec 16 17:23:09 UTC 2023
PRIMARY
PUBCHEM
10026128
Created by admin on Sat Dec 16 17:23:09 UTC 2023 , Edited by admin on Sat Dec 16 17:23:09 UTC 2023
PRIMARY
EPA CompTox
DTXSID90978825
Created by admin on Sat Dec 16 17:23:09 UTC 2023 , Edited by admin on Sat Dec 16 17:23:09 UTC 2023
PRIMARY
INN
9095
Created by admin on Sat Dec 16 17:23:09 UTC 2023 , Edited by admin on Sat Dec 16 17:23:09 UTC 2023
PRIMARY
USAN
UU-51
Created by admin on Sat Dec 16 17:23:09 UTC 2023 , Edited by admin on Sat Dec 16 17:23:09 UTC 2023
PRIMARY
SMS_ID
300000034455
Created by admin on Sat Dec 16 17:23:09 UTC 2023 , Edited by admin on Sat Dec 16 17:23:09 UTC 2023
PRIMARY
NCI_THESAURUS
C81536
Created by admin on Sat Dec 16 17:23:09 UTC 2023 , Edited by admin on Sat Dec 16 17:23:09 UTC 2023
PRIMARY
ChEMBL
CHEMBL454138
Created by admin on Sat Dec 16 17:23:09 UTC 2023 , Edited by admin on Sat Dec 16 17:23:09 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY