(1R,2R,6S,7S)-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>]dec-8-ene-3,5-dione

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H34N4O2S
Molecular Weight	490.66
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (1R,2R,6S,7S)-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>]dec-8-ene-3,5-dione

Structure Search

SMILES

O=C1[C@H]2[C@H]3C[C@H](C=C3)[C@H]2C(=O)N1C[C@@H]4CCCC[C@H]4CN5CCN(CC5)C6=NSC7=C6C=CC=C7

InChI

InChIKey=WBUAEALDZNAYSN-CVTJIBDQSA-N

InChI=1S/C28H34N4O2S/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/h3-4,7-10,18-21,24-25H,1-2,5-6,11-17H2/t18-,19+,20-,21-,24+,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H34N4O2S
Molecular Weight	490.66
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 21:13:55 GMT 2025` Edited by `admin` on `Wed Apr 02 21:13:55 GMT 2025`
Record UNII	GZ5PX5G5EA
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

(1R,2R,6S,7S)-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>]dec-8-ene-3,5-dione

Systematic Name

English

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

Preferred Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

3024924-65-7

Created by admin on Wed Apr 02 21:13:55 GMT 2025 , Edited by admin on Wed Apr 02 21:13:55 GMT 2025

PRIMARY

PUBCHEM

169446960

Created by admin on Wed Apr 02 21:13:55 GMT 2025 , Edited by admin on Wed Apr 02 21:13:55 GMT 2025

PRIMARY

FDA UNII

GZ5PX5G5EA

Created by admin on Wed Apr 02 21:13:55 GMT 2025 , Edited by admin on Wed Apr 02 21:13:55 GMT 2025

PRIMARY