U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C16H14F3NO3
Molecular Weight 325.2825
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CRISDESALAZINE

SMILES

OC(=O)C1=CC(NCCC2=CC=C(C=C2)C(F)(F)F)=CC=C1O

InChI

InChIKey=UTMVACIBQLDZLP-UHFFFAOYSA-N
InChI=1S/C16H14F3NO3/c17-16(18,19)11-3-1-10(2-4-11)7-8-20-12-5-6-14(21)13(9-12)15(22)23/h1-6,9,20-21H,7-8H2,(H,22,23)

HIDE SMILES / InChI

Molecular Formula C16H14F3NO3
Molecular Weight 325.2825
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:57:41 GMT 2023
Edited
by admin
on Sat Dec 16 10:57:41 GMT 2023
Record UNII
11VWK61J69
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CRISDESALAZINE
INN  
Official Name English
crisdesalazine [INN]
Common Name English
BENZOIC ACID, 2-HYDROXY-5-((2-(4-(TRIFLUOROMETHYL)PHENYL)ETHYL)AMINO)-
Systematic Name English
2-HYDROXY-5-((2-(4-(TRIFLUOROMETHYL)PHENYL)ETHYL)AMINO)BENZOIC ACID
Systematic Name English
AAD-2004
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 907322
Created by admin on Sat Dec 16 10:57:41 GMT 2023 , Edited by admin on Sat Dec 16 10:57:41 GMT 2023
Code System Code Type Description
CAS
927685-43-6
Created by admin on Sat Dec 16 10:57:41 GMT 2023 , Edited by admin on Sat Dec 16 10:57:41 GMT 2023
PRIMARY
FDA UNII
11VWK61J69
Created by admin on Sat Dec 16 10:57:41 GMT 2023 , Edited by admin on Sat Dec 16 10:57:41 GMT 2023
PRIMARY
INN
10969
Created by admin on Sat Dec 16 10:57:41 GMT 2023 , Edited by admin on Sat Dec 16 10:57:41 GMT 2023
PRIMARY
SMS_ID
300000005906
Created by admin on Sat Dec 16 10:57:41 GMT 2023 , Edited by admin on Sat Dec 16 10:57:41 GMT 2023
PRIMARY
NCI_THESAURUS
C166448
Created by admin on Sat Dec 16 10:57:41 GMT 2023 , Edited by admin on Sat Dec 16 10:57:41 GMT 2023
PRIMARY
PUBCHEM
16042343
Created by admin on Sat Dec 16 10:57:41 GMT 2023 , Edited by admin on Sat Dec 16 10:57:41 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
TARGET -> INHIBITOR
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY