ENT-LURASIDONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H36N4O2S
Molecular Weight	492.676
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12[C@H]3CC[C@H](C3)[C@]1([H])C(=O)N(C[C@H]4CCCC[C@@H]4CN5CCN(CC5)C6=NSC7=C6C=CC=C7)C2=O

InChI

InChIKey=PQXKDMSYBGKCJA-YBEUTXPYSA-N

InChI=1S/C28H36N4O2S/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/t18-,19+,20-,21-,24+,25-/m1/s1

HIDE SMILES / InChI

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 `Sat Dec 16 18:39:21 GMT 2023` Edited by `admin` on `Sat Dec 16 18:39:21 GMT 2023`
Record UNII	LLK3D758RH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ENT-LURASIDONE

Common Name

English

4,7-METHANO-1H-ISOINDOLE-1,3(2H)-DIONE, 2-(((1S,2S)-2-((4-(1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINYL)METHYL)CYCLOHEXYL)METHYL)HEXAHYDRO-, (3AR,4S,7R,7AS)-

Systematic Name

English

3AR,4S,7R,7AS)-2-(((1S,2S)-2-((4-(1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINYL)METHYL)CYCLOHEXYL)METHYL)HEXAHYDRO-4,7-METHANO-1H-ISOINDOLE-1,3(2H)-DIONE

Systematic Name

English

Code System Code Type Description

CAS

1448443-35-3

Created by admin on Sat Dec 16 18:39:21 GMT 2023 , Edited by admin on Sat Dec 16 18:39:21 GMT 2023

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PUBCHEM

50918847

Created by admin on Sat Dec 16 18:39:21 GMT 2023 , Edited by admin on Sat Dec 16 18:39:21 GMT 2023

PRIMARY

PUBCHEM

FDA UNII

LLK3D758RH

Created by admin on Sat Dec 16 18:39:21 GMT 2023 , Edited by admin on Sat Dec 16 18:39:21 GMT 2023

PRIMARY

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