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

Details

Stereochemistry ACHIRAL
Molecular Formula C27H21F3N2O5S
Molecular Weight 542.526
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ELISMETREP

SMILES

OC(=O)C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(OC(F)(F)F)C=C2)C3=NC=C4C=CC=CC4=C3C5CC5

InChI

InChIKey=CWEFDWIKLABKBX-UHFFFAOYSA-N
InChI=1S/C27H21F3N2O5S/c28-27(29,30)37-21-11-5-17(6-12-21)16-32(38(35,36)22-13-9-19(10-14-22)26(33)34)25-24(18-7-8-18)23-4-2-1-3-20(23)15-31-25/h1-6,9-15,18H,7-8,16H2,(H,33,34)

HIDE SMILES / InChI
Molecular Formula C27H21F3N2O5S
Molecular Weight 542.526
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Tue Apr 01 20:58:05 GMT 2025
Edited
by admin
on Tue Apr 01 20:58:05 GMT 2025
Record UNII
KIB8V5UR7D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MT-8554
Preferred Name English
ELISMETREP
INN   USAN  
Official Name English
ELISMETREP [USAN]
Common Name English
4-((4-CYCLOPROPYLISOQUINOLIN-3-YL) (4-(TRIFLUOROMETHOXY) BENZYL) SULFAMOYL) BENZOIC ACID
Common Name English
BENZOIC ACID, 4-(((4-CYCLOPROPYL-3-ISOQUINOLINYL)((4-(TRIFLUOROMETHOXY)PHENYL)METHYL)AMINO)SULFONYL)-
Systematic Name English
elismetrep [INN]
Common Name English
MT8554
Code English
4-(((4-CYCLOPROPYL-3-ISOQUINOLINYL)((4-(TRIFLUOROMETHOXY)PHENYL)METHYL)AMINO)SULFONYL)BENZOIC ACID
Systematic Name English
Code System Code Type Description
INN
10708
Created by admin on Tue Apr 01 20:58:05 GMT 2025 , Edited by admin on Tue Apr 01 20:58:05 GMT 2025
PRIMARY
DRUG BANK
DB15287
Created by admin on Tue Apr 01 20:58:05 GMT 2025 , Edited by admin on Tue Apr 01 20:58:05 GMT 2025
PRIMARY
SMS_ID
100000177598
Created by admin on Tue Apr 01 20:58:05 GMT 2025 , Edited by admin on Tue Apr 01 20:58:05 GMT 2025
PRIMARY
EVMPD
SUB193069
Created by admin on Tue Apr 01 20:58:05 GMT 2025 , Edited by admin on Tue Apr 01 20:58:05 GMT 2025
PRIMARY
USAN
FG-166
Created by admin on Tue Apr 01 20:58:05 GMT 2025 , Edited by admin on Tue Apr 01 20:58:05 GMT 2025
PRIMARY
PUBCHEM
66548125
Created by admin on Tue Apr 01 20:58:05 GMT 2025 , Edited by admin on Tue Apr 01 20:58:05 GMT 2025
PRIMARY
NCI_THESAURUS
C169937
Created by admin on Tue Apr 01 20:58:05 GMT 2025 , Edited by admin on Tue Apr 01 20:58:05 GMT 2025
PRIMARY
FDA UNII
KIB8V5UR7D
Created by admin on Tue Apr 01 20:58:05 GMT 2025 , Edited by admin on Tue Apr 01 20:58:05 GMT 2025
PRIMARY
CAS
1400699-64-0
Created by admin on Tue Apr 01 20:58:05 GMT 2025 , Edited by admin on Tue Apr 01 20:58:05 GMT 2025
PRIMARY
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Related Record Type Details
Structure of ELISMETREP
ACTIVE MOIETY
NIH
NCATS
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