ID-14326

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H36N4O3S
Molecular Weight	508.675
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=VKVBDORNIIAKBR-KKNIMOQNSA-N

InChI=1S/C28H36N4O3S/c33-25-20-9-10-21(25)24-23(20)27(34)32(28(24)35)16-18-6-2-1-5-17(18)15-30-11-13-31(14-12-30)26-19-7-3-4-8-22(19)36-29-26/h3-4,7-8,17-18,20-21,23-25,33H,1-2,5-6,9-16H2/t17-,18-,20-,21+,23-,24+,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H36N4O3S
Molecular Weight	508.675
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:56:29 UTC 2023` Edited by `admin` on `Sat Dec 16 13:56:29 UTC 2023`
Record UNII	5Z4T08JI5F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ID-14326

Code

English

4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-[[2-[[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro-8-hydroxy-

Systematic Name

English

(3AR,4R,7S,7AS,8S)-2-(((1R,2R)-2-((4-(BENZO[D]ISOTHIAZOL-3-YL)PIPERAZIN-1-YL)METHYL)CYCLOHEXYL)METHYL)-8-HYDROXYHEXAHYDRO-1H-4,7-METHANOISOINDOLE-1,3(2H)-DIONE

Systematic Name

English

LURASIDONE METABOLITE M9

Common Name

English

Code System Code Type Description

FDA UNII

5Z4T08JI5F

Created by admin on Sat Dec 16 13:56:29 UTC 2023 , Edited by admin on Sat Dec 16 13:56:29 UTC 2023

PRIMARY

CAS

1796569-32-8

Created by admin on Sat Dec 16 13:56:29 UTC 2023 , Edited by admin on Sat Dec 16 13:56:29 UTC 2023

PRIMARY

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