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Details

Stereochemistry ABSOLUTE
Molecular Formula 2C10H10FNO2.2ClH.H2O
Molecular Weight 481.318
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FLUPAROXAN HYDROCHLORIDE

SMILES

O.Cl.Cl.[H][C@]12CNC[C@]1([H])OC3=C(O2)C=CC=C3F.[H][C@]45CNC[C@]4([H])OC6=C(O5)C=CC=C6F

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
FLUPAROXAN HYDROCHLORIDE
USAN  
USAN  
Official Name English
GR50360A, (-)-
Code English
FLUPAROXAN HYDROCHLORIDE HEMIHYDRATE, (-)-
Common Name English
1H-(1,4)BENZODIOXINO(2,3-C)PYRROLE, 5-FLUORO-2,3,3A,9A-TETRAHYDRO-, HYDROCHLORIDE, HEMIHYDRATE, (3AS-TRANS)-
Common Name English
FLUPAROXAN HYDROCHLORIDE HEMIHYDRATE
Common Name English
(3aS,9aS)-5-Fluoro-2,3,3a,9a-tetrahydro-1H-[1,4]benzodioxino[2,3-c]pyrrole hydrochloride, hemihydrate
Common Name English
1H-(1,4)BENZODIOXINO(2,3-C)PYRROLE, 5-FLUORO-2,3,3A,9A-TETRAHYDRO-, HYDROCHLORIDE, HYDRATE (2:1), (3AS-TRANS)-
Common Name English
GR-50360A, (-)-
Code English
FLUPAROXAN HYDROCHLORIDE [USAN]
Common Name English
Code System Code Type Description
CAS
111793-41-0
Created by admin on Fri Dec 15 15:51:24 UTC 2023 , Edited by admin on Fri Dec 15 15:51:24 UTC 2023
PRIMARY
NCI_THESAURUS
C174705
Created by admin on Fri Dec 15 15:51:24 UTC 2023 , Edited by admin on Fri Dec 15 15:51:24 UTC 2023
PRIMARY
PUBCHEM
23724909
Created by admin on Fri Dec 15 15:51:24 UTC 2023 , Edited by admin on Fri Dec 15 15:51:24 UTC 2023
PRIMARY
ChEMBL
CHEMBL1765294
Created by admin on Fri Dec 15 15:51:24 UTC 2023 , Edited by admin on Fri Dec 15 15:51:24 UTC 2023
PRIMARY
FDA UNII
MD8HYM183K
Created by admin on Fri Dec 15 15:51:24 UTC 2023 , Edited by admin on Fri Dec 15 15:51:24 UTC 2023
PRIMARY
EPA CompTox
DTXSID70920569
Created by admin on Fri Dec 15 15:51:24 UTC 2023 , Edited by admin on Fri Dec 15 15:51:24 UTC 2023
PRIMARY
USAN
AA-43
Created by admin on Fri Dec 15 15:51:24 UTC 2023 , Edited by admin on Fri Dec 15 15:51:24 UTC 2023
PRIMARY