endo-Lurasidone hydrochloride

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H36N4O2S.ClH
Molecular Weight	529.137
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of endo-Lurasidone 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=NSC7=C6C=CC=C7

InChI

InChIKey=NEKCRUIRPWNMLK-UBMRPRFGSA-N

InChI=1S/C28H36N4O2S.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)35-29-26;/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	C28H36N4O2S
Molecular Weight	492.676
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 20:56:41 GMT 2025` Edited by `admin` on `Wed Apr 02 20:56:41 GMT 2025`
Record UNII	XL73V4AYA9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

endo-Lurasidone hydrochloride

Common Name

English

(1S,2S,6R,7R)-4-[[(1R,2R)-2-[[4-(1,2-Benzothiazol-3-yl)piperazin-1-yl]methyl]cyclohexyl]methyl]-4-azatricyclo[5.2.1.0<SUP>2, 6</SUP>-]decane-3,5-dione;hydrochloride

Preferred Name

English

Code System Code Type Description

FDA UNII

XL73V4AYA9

Created by admin on Wed Apr 02 20:56:41 GMT 2025 , Edited by admin on Wed Apr 02 20:56:41 GMT 2025

PRIMARY

PUBCHEM

71616832

Created by admin on Wed Apr 02 20:56:41 GMT 2025 , Edited by admin on Wed Apr 02 20:56:41 GMT 2025

PRIMARY

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endo-Lurasidone

PARENT -> SALT/SOLVATE

Amount: