PEROSPIRONE HYDROCHLORIDE DIHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H30N4O2S.ClH.2H2O
Molecular Weight	499.066
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PEROSPIRONE HYDROCHLORIDE DIHYDRATE

Structure Search

SMILES

O.O.Cl.[H][C@@]12CCCC[C@]1([H])C(=O)N(CCCCN3CCN(CC3)C4=NSC5=C4C=CC=C5)C2=O

InChI

InChIKey=LZQKLGXZZSMREH-SMMZMSQNSA-N

InChI=1S/C23H30N4O2S.ClH.2H2O/c28-22-17-7-1-2-8-18(17)23(29)27(22)12-6-5-11-25-13-15-26(16-14-25)21-19-9-3-4-10-20(19)30-24-21;;;/h3-4,9-10,17-18H,1-2,5-8,11-16H2;1H;2*1H2/t17-,18+;;;

HIDE SMILES / InChI

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

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	C23H30N4O2S
Molecular Weight	426.575
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 `Fri Dec 15 19:12:49 UTC 2023` Edited by `admin` on `Fri Dec 15 19:12:49 UTC 2023`
Record UNII	S03S4466IP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PEROSPIRONE HYDROCHLORIDE DIHYDRATE

Common Name

English

CIS-N-(4-(4-(1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINYL)BUTYL)-1,2-CYCLOHEXANEDICARBOXIMIDE HYDROCHLORIDE DIHYDRATE

Common Name

English

1H-ISOINDOLE-1,3(2H)-DIONE, 2-(4-(4-(1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINYL)BUTYL)HEXAHYDRO-, HYDROCHLORIDE, HYDRATE (1:1:2), (3AR,7AS)-REL-

Common Name

English

Perospirone hydrochloride dihydrate [WHO-DD]

Common Name

English

PEROSPIRONE HYDROCHLORIDE HYDRATE [JAN]

Common Name

English

PEROSPIRONE HYDROCHLORIDE HYDRATE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID70172763