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Details

Stereochemistry RACEMIC
Molecular Formula C10H10FNO2
Molecular Weight 195.1903
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

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

SMILES

[H][C@]12CNC[C@]1([H])OC3=C(O2)C=CC=C3F

InChI

InChIKey=XSOUHEXVEOQRKJ-IUCAKERBSA-N
InChI=1S/C10H10FNO2/c11-6-2-1-3-7-10(6)14-9-5-12-4-8(9)13-7/h1-3,8-9,12H,4-5H2/t8-,9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H10FNO2
Molecular Weight 195.1903
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:44:11 GMT 2023
Edited
by admin
on Sat Dec 16 15:44:11 GMT 2023
Record UNII
1N6WYI0KA0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FLUPAROXAN, (±)-
Common Name English
(±)-FLUPAROXAN
Common Name English
(3AR,9AR)-REL-FLUPAROXAN
Common Name English
1H-(1,4)BENZODIOXINO(2,3-C)PYRROLE, 5-FLUORO-2,3,3A,9A-TETRAHYDRO-, TRANS-
Common Name English
1H-(1,4)BENZODIOXINO(2,3-C)PYRROLE, 5-FLUORO-2,3,3A,9A-TETRAHYDRO-, (3AR,9AR)-REL-
Systematic Name English
1H-(1,4)BENZODIOXINO(2,3-C)PYRROLE, 5-FLUORO-2,3,3A,9A-TETRAHYDRO-, TRANS-(±)-
Common Name English
REL-(3AR,9AR)-5-FLUORO-2,3,3A,9A-TETRAHYDRO-1H-(1,4)BENZODIOXINO(2,3-C)PYRROLE
Common Name English
Code System Code Type Description
PUBCHEM
72036
Created by admin on Sat Dec 16 15:44:12 GMT 2023 , Edited by admin on Sat Dec 16 15:44:12 GMT 2023
PRIMARY
CAS
101389-86-0
Created by admin on Sat Dec 16 15:44:12 GMT 2023 , Edited by admin on Sat Dec 16 15:44:12 GMT 2023
PRIMARY
FDA UNII
1N6WYI0KA0
Created by admin on Sat Dec 16 15:44:12 GMT 2023 , Edited by admin on Sat Dec 16 15:44:12 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
ENANTIOMER -> RACEMATE
Related Record Type Details
ACTIVE MOIETY