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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H19F3N2O2.ClH
Molecular Weight 340.769
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FLUBANILATE HYDROCHLORIDE

SMILES

Cl.CCOC(=O)N(CCN(C)C)C1=CC(=CC=C1)C(F)(F)F

InChI

InChIKey=YLVGWMCQIWELEA-UHFFFAOYSA-N
InChI=1S/C14H19F3N2O2.ClH/c1-4-21-13(20)19(9-8-18(2)3)12-7-5-6-11(10-12)14(15,16)17;/h5-7,10H,4,8-9H2,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula C14H19F3N2O2
Molecular Weight 304.3081
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:19:26 GMT 2023
Edited
by admin
on Fri Dec 15 16:19:26 GMT 2023
Record UNII
GG0009389P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FLUBANILATE HYDROCHLORIDE
USAN  
USAN  
Official Name English
FLUBANILATE HYDROCHLORIDE [USAN]
Common Name English
FLUBANILATE HCL
Common Name English
CARBAMIC ACID, (2-(DIMETHYLAMINO)ETHYL)(3-(TRIFLUOROMETHYL)PHENYL)-, ETHYL ESTER, MONOHYDROCHLORIDE
Common Name English
ETHYL N-(2-(DIMETHYLAMINO)ETHYL)-M-(TRIFLUOROMETHYL)CARBANILATE MONOHYDROCHLORIDE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C47795
Created by admin on Fri Dec 15 16:19:26 GMT 2023 , Edited by admin on Fri Dec 15 16:19:26 GMT 2023
Code System Code Type Description
CAS
967-48-6
Created by admin on Fri Dec 15 16:19:26 GMT 2023 , Edited by admin on Fri Dec 15 16:19:26 GMT 2023
PRIMARY
NCI_THESAURUS
C73829
Created by admin on Fri Dec 15 16:19:26 GMT 2023 , Edited by admin on Fri Dec 15 16:19:26 GMT 2023
PRIMARY
FDA UNII
GG0009389P
Created by admin on Fri Dec 15 16:19:26 GMT 2023 , Edited by admin on Fri Dec 15 16:19:26 GMT 2023
PRIMARY
ChEMBL
CHEMBL2111122
Created by admin on Fri Dec 15 16:19:26 GMT 2023 , Edited by admin on Fri Dec 15 16:19:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID70242394
Created by admin on Fri Dec 15 16:19:26 GMT 2023 , Edited by admin on Fri Dec 15 16:19:26 GMT 2023
PRIMARY
PUBCHEM
172308
Created by admin on Fri Dec 15 16:19:26 GMT 2023 , Edited by admin on Fri Dec 15 16:19:26 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY