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Details

Stereochemistry RACEMIC
Molecular Formula C19H20F3NO2.ClH
Molecular Weight 387.824
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENFLUOREX HYDROCHLORIDE

SMILES

Cl.CC(CC1=CC=CC(=C1)C(F)(F)F)NCCOC(=O)C2=CC=CC=C2

InChI

InChIKey=NLOALSPYZIIXEO-UHFFFAOYSA-N
InChI=1S/C19H20F3NO2.ClH/c1-14(12-15-6-5-9-17(13-15)19(20,21)22)23-10-11-25-18(24)16-7-3-2-4-8-16;/h2-9,13-14,23H,10-12H2,1H3;1H

HIDE SMILES / InChI
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
Molecular Formula C19H20F3NO2
Molecular Weight 351.3628
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:09:25 UTC 2023
Edited
by admin
on Fri Dec 15 15:09:25 UTC 2023
Record UNII
X7O165XZ00
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENFLUOREX HYDROCHLORIDE
EP   MART.   MI   WHO-DD  
Common Name English
BENFLUOREX HYDROCHLORIDE [EP IMPURITY]
Common Name English
2-(-METHYL-3-(TRIFLUOROMETHYL)PHENETHYLAMINO)ETHYL BENZOATE HYDROCHLORIDE
Systematic Name English
BENFLUOREX HYDROCHLORIDE [MI]
Common Name English
ETHANOL, 2-((1-METHYL-2-(3-(TRIFLUOROMETHYL)PHENYL)ETHYL)AMINO)-, 1-BENZOATE, HYDROCHLORIDE (1:1)
Common Name English
BENFLUOREX HYDROCHLORIDE [MART.]
Common Name English
BENFLUOREX HCL
Common Name English
Benfluorex hydrochloride [WHO-DD]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID8045854
Created by admin on Fri Dec 15 15:09:25 UTC 2023 , Edited by admin on Fri Dec 15 15:09:25 UTC 2023
PRIMARY
DRUG BANK
DBSALT001094
Created by admin on Fri Dec 15 15:09:25 UTC 2023 , Edited by admin on Fri Dec 15 15:09:25 UTC 2023
PRIMARY
PUBCHEM
198015
Created by admin on Fri Dec 15 15:09:25 UTC 2023 , Edited by admin on Fri Dec 15 15:09:25 UTC 2023
PRIMARY
MERCK INDEX
m2311
Created by admin on Fri Dec 15 15:09:25 UTC 2023 , Edited by admin on Fri Dec 15 15:09:25 UTC 2023
PRIMARY Merck Index
FDA UNII
X7O165XZ00
Created by admin on Fri Dec 15 15:09:25 UTC 2023 , Edited by admin on Fri Dec 15 15:09:25 UTC 2023
PRIMARY
ECHA (EC/EINECS)
245-801-8
Created by admin on Fri Dec 15 15:09:25 UTC 2023 , Edited by admin on Fri Dec 15 15:09:25 UTC 2023
PRIMARY
CAS
23642-66-2
Created by admin on Fri Dec 15 15:09:25 UTC 2023 , Edited by admin on Fri Dec 15 15:09:25 UTC 2023
PRIMARY
EVMPD
SUB00701MIG
Created by admin on Fri Dec 15 15:09:25 UTC 2023 , Edited by admin on Fri Dec 15 15:09:25 UTC 2023
PRIMARY
SMS_ID
100000084905
Created by admin on Fri Dec 15 15:09:25 UTC 2023 , Edited by admin on Fri Dec 15 15:09:25 UTC 2023
PRIMARY
MESH
C001584
Created by admin on Fri Dec 15 15:09:25 UTC 2023 , Edited by admin on Fri Dec 15 15:09:25 UTC 2023
PRIMARY
RXCUI
235953
Created by admin on Fri Dec 15 15:09:25 UTC 2023 , Edited by admin on Fri Dec 15 15:09:25 UTC 2023
PRIMARY RxNorm
Related Record Type Details
Structure of BENFLUOREX HYDROCHLORIDE, (R)-
ENANTIOMER -> RACEMATE
Structure of BENFLUOREX HYDROCHLORIDE, (S)-
ENANTIOMER -> RACEMATE
Structure of BENFLUOREX
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of BENFLUOREX
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