2-[[(1S,2R)-2-[[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione, (3aR,4S,7R,7aS)-

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 of 2-[[(1S,2R)-2-[[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione, (3aR,4S,7R,7aS)-

Structure Search

SMILES

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=PQXKDMSYBGKCJA-RLBPEOPASA-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-/m0/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 `Wed Apr 02 20:34:39 GMT 2025` Edited by `admin` on `Wed Apr 02 20:34:39 GMT 2025`
Record UNII	W23XE4YB5U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(3aR,4S,7R,7aS)-2-[[(1S,2R)-2-[[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione

Preferred Name

English

2-[[(1S,2R)-2-[[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione, (3aR,4S,7R,7aS)-

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

W23XE4YB5U

Created by admin on Wed Apr 02 20:34:39 GMT 2025 , Edited by admin on Wed Apr 02 20:34:39 GMT 2025

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CAS

1318074-19-9

Created by admin on Wed Apr 02 20:34:39 GMT 2025 , Edited by admin on Wed Apr 02 20:34:39 GMT 2025

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PUBCHEM

58368977

Created by admin on Wed Apr 02 20:34:39 GMT 2025 , Edited by admin on Wed Apr 02 20:34:39 GMT 2025

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