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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H20F3NO2.ClH
Molecular Weight 387.824
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENFLUOREX HYDROCHLORIDE, (S)-

SMILES

Cl.C[C@@H](CC1=CC=CC(=C1)C(F)(F)F)NCCOC(=O)C2=CC=CC=C2

InChI

InChIKey=NLOALSPYZIIXEO-UQKRIMTDSA-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/t14-;/m0./s1

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 ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:25:57 GMT 2023
Edited
by admin
on Sat Dec 16 10:25:57 GMT 2023
Record UNII
DU1JHT2VA8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENFLUOREX HYDROCHLORIDE, (S)-
Common Name English
ETHANOL, 2-((1-METHYL-2-(3-(TRIFLUOROMETHYL)PHENYL)ETHYL)AMINO)-, 1-BENZOATE, HYDROCHLORIDE (1:1), (S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
76961237
Created by admin on Sat Dec 16 10:25:57 GMT 2023 , Edited by admin on Sat Dec 16 10:25:57 GMT 2023
PRIMARY
FDA UNII
DU1JHT2VA8
Created by admin on Sat Dec 16 10:25:57 GMT 2023 , Edited by admin on Sat Dec 16 10:25:57 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER