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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H28N4S
Molecular Weight 344.517
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-[[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexanemethanamine, (1R,2R)-

SMILES

NC[C@@H]1CCCC[C@H]1CN2CCN(CC2)C3=NSC4=C3C=CC=C4

InChI

InChIKey=ISNHCWHFMIPSEZ-HOTGVXAUSA-N
InChI=1S/C19H28N4S/c20-13-15-5-1-2-6-16(15)14-22-9-11-23(12-10-22)19-17-7-3-4-8-18(17)24-21-19/h3-4,7-8,15-16H,1-2,5-6,9-14,20H2/t15-,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H28N4S
Molecular Weight 344.517
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:48:52 GMT 2025
Edited
by admin
on Wed Apr 02 19:48:52 GMT 2025
Record UNII
89QSQ4W3F7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexanemethanamine, (1R,2R)-
Systematic Name English
(1R,2R)-2-[[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexanemethanamine
Preferred Name English
Cyclohexanemethanamine, 2-[[4-(1,2-benzisothiazol-3-yl)-1-piperazinyl]methyl]-, (1R,2R)-
Systematic Name English
Code System Code Type Description
CAS
1260138-03-1
Created by admin on Wed Apr 02 19:48:52 GMT 2025 , Edited by admin on Wed Apr 02 19:48:52 GMT 2025
PRIMARY
PUBCHEM
58098005
Created by admin on Wed Apr 02 19:48:52 GMT 2025 , Edited by admin on Wed Apr 02 19:48:52 GMT 2025
PRIMARY
FDA UNII
89QSQ4W3F7
Created by admin on Wed Apr 02 19:48:52 GMT 2025 , Edited by admin on Wed Apr 02 19:48:52 GMT 2025
PRIMARY