Lurasidone sulfone hydrochloride

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H36N4O4S.ClH
Molecular Weight	561.136
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Lurasidone sulfone hydrochloride

Structure Search

SMILES

Cl.O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1C[C@@H]4CCCC[C@H]4CN5CCN(CC5)C6=NS(=O)(=O)C7=CC=CC=C67

InChI

InChIKey=PAGBYYBUHGUBPJ-SCIYSFAVSA-N

InChI=1S/C28H36N4O4S.ClH/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)37(35,36)29-26;/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2;1H/t18-,19+,20-,21-,24+,25-;/m0./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	C28H36N4O4S
Molecular Weight	524.675
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:41:59 GMT 2025` Edited by `admin` on `Wed Apr 02 19:41:59 GMT 2025`
Record UNII	JA5S42C3MX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Lurasidone sulfone hydrochloride

Common Name

English

4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-[[(1R,2R)-2-[[4-(1,1-dioxido-1,2-benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro-, hydrochloride (1:1), (3aR,4S,7R,7aS)-

Preferred Name

English

Code System Code Type Description

CAS

2084053-23-4

Created by admin on Wed Apr 02 19:41:59 GMT 2025 , Edited by admin on Wed Apr 02 19:41:59 GMT 2025

PRIMARY

FDA UNII

JA5S42C3MX

Created by admin on Wed Apr 02 19:41:59 GMT 2025 , Edited by admin on Wed Apr 02 19:41:59 GMT 2025

PRIMARY

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Lurasidone Sulfone

PARENT -> SALT/SOLVATE

Amount: