ELISMETREP

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Investigational

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H21F3N2O5S
Molecular Weight	542.5284
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ELISMETREP

Structure Search

SMILES

c1ccc2c(c1)cnc(c2C3CC3)N(Cc4ccc(cc4)OC(F)(F)F)S(=O)(=O)c5ccc(cc5)C(=O)O

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	542.5284
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 Jun 26 14:40:16 UTC 2021` Edited by `admin` on `Sat Jun 26 14:40:16 UTC 2021`
Record UNII	KIB8V5UR7D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ELISMETREP

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

MT-8554

Code

English

ELISMETREP [INN]

Common Name

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 Sat Jun 26 14:40:17 UTC 2021 , Edited by admin on Sat Jun 26 14:40:17 UTC 2021

PRIMARY

DRUG BANK

DB15287

Created by admin on Sat Jun 26 14:40:17 UTC 2021 , Edited by admin on Sat Jun 26 14:40:17 UTC 2021

PRIMARY

EVMPD

SUB193069

Created by admin on Sat Jun 26 14:40:17 UTC 2021 , Edited by admin on Sat Jun 26 14:40:17 UTC 2021

PRIMARY

PUBCHEM

66548125

Created by admin on Sat Jun 26 14:40:17 UTC 2021 , Edited by admin on Sat Jun 26 14:40:17 UTC 2021

PRIMARY

NCI_THESAURUS

C169937

Created by admin on Sat Jun 26 14:40:17 UTC 2021 , Edited by admin on Sat Jun 26 14:40:17 UTC 2021

PRIMARY

FDA UNII

KIB8V5UR7D

Created by admin on Sat Jun 26 14:40:17 UTC 2021 , Edited by admin on Sat Jun 26 14:40:17 UTC 2021

PRIMARY

CAS

1400699-64-0

Created by admin on Sat Jun 26 14:40:17 UTC 2021 , Edited by admin on Sat Jun 26 14:40:17 UTC 2021

PRIMARY

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