FLUPAROXAN HYDROCHLORIDE HEMIHYDRATE, (±)-

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, (±)-

Structure Search

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

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	C10H10FNO2
Molecular Weight	195.1903
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:40:02 GMT 2023` Edited by `admin` on `Sat Dec 16 15:40:02 GMT 2023`
Record UNII	O53Z6W28DK
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

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

(3AR,9AR-REL-)-FLUPAROXAN HYDROCHLORIDE HYDRATE

Common 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 Sat Dec 16 15:40:02 GMT 2023 , Edited by admin on Sat Dec 16 15:40:02 GMT 2023

PRIMARY

FDA UNII

O53Z6W28DK

Created by admin on Sat Dec 16 15:40:02 GMT 2023 , Edited by admin on Sat Dec 16 15:40:02 GMT 2023

PRIMARY

PUBCHEM

23724909

Created by admin on Sat Dec 16 15:40:02 GMT 2023 , Edited by admin on Sat Dec 16 15:40:02 GMT 2023

PRIMARY

Related Record Type Details


					2JJ2CUS15A

FLUPAROXAN HYDROCHLORIDE ANHYDROUS, (±)-

ANHYDROUS->SOLVATE


					1N6WYI0KA0

FLUPAROXAN, (±)-

PARENT -> SALT/SOLVATE

Related Record Type Details


					1N6WYI0KA0

FLUPAROXAN, (±)-

ACTIVE MOIETY