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Details

Stereochemistry RACEMIC
Molecular Formula 2C10H10FNO2.2ClH.H2O
Molecular Weight 481.318
Optical Activity ( + / - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FLUPAROXAN HYDROCHLORIDE HEMIHYDRATE, (±)-

SMILES

O.Cl.Cl.FC1=CC=CC2=C1O[C@H]3CNC[C@@H]3O2.FC4=CC=CC5=C4O[C@H]6CNC[C@@H]6O5

InChI

InChIKey=SDEFUPMOIFOLSQ-IYLDIKPPSA-N
InChI=1S/2C10H10FNO2.2ClH.H2O/c2*11-6-2-1-3-7-10(6)14-9-5-12-4-8(9)13-7;;;/h2*1-3,8-9,12H,4-5H2;2*1H;1H2/t2*8-,9-;;;/m00.../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(3AR,9AR-REL-)-FLUPAROXAN HYDROCHLORIDE HYDRATE
Preferred Name English
FLUPAROXAN HYDROCHLORIDE HEMIHYDRATE, (±)-
Common Name English
1H-(1,4)BENZODIOXINO(2,3-C)PYRROLE, 5-FLUORO-2,3,3A,9A-TETRAHYDRO-, HYDROCHLORIDE, HYDRATE (2:1), TRANS-
Systematic Name English
1H-(1,4)BENZODIOXINO(2,3-C)PYRROLE, 5-FLUORO-2,3,3A,9A-TETRAHYDRO-, HYDROCHLORIDE, HYDRATE (2:1), TRANS-(±)-
Systematic Name English
(±)-FLUPAROXAN HYDROCHLORIDE HEMIHYDRATE
Common Name English
1H-(1,4)BENZODIOXINO(2,3-C)PYRROLE, 5-FLUORO-2,3,3A,9A-TETRAHYDRO-, HYDROCHLORIDE, HYDRATE (2:2:1), (3AR,9AR)-REL-
Systematic Name English
Code System Code Type Description
CAS
139679-54-2
Created by admin on Wed Apr 02 06:17:43 GMT 2025 , Edited by admin on Wed Apr 02 06:17:43 GMT 2025
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FDA UNII
O53Z6W28DK
Created by admin on Wed Apr 02 06:17:43 GMT 2025 , Edited by admin on Wed Apr 02 06:17:43 GMT 2025
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