U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H21N3O.ClH
Molecular Weight 319.829
Optical Activity ( + )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RTI-126 HYDROCHLORIDE

SMILES

Cl.CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=CC=C3)C4=NC(C)=NO4

InChI

InChIKey=XXIIMJGLCRGJJL-GBQFRTIMSA-N
InChI=1S/C17H21N3O.ClH/c1-11-18-17(21-19-11)16-14(12-6-4-3-5-7-12)10-13-8-9-15(16)20(13)2;/h3-7,13-16H,8-10H2,1-2H3;1H/t13-,14+,15+,16-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
8-AZABICYCLO(3.2.1)OCTANE, 8-METHYL-2-(3-METHYL-1,2,4-OXADIAZOL-5-YL)-3-PHENYL-, HYDROCHLORIDE (1:1), (1R,2S,3S,5S)-
Preferred Name English
RTI-126 HYDROCHLORIDE
Code English
8-AZABICYCLO(3.2.1)OCTANE, 8-METHYL-2-(3-METHYL-1,2,4-OXADIAZOL-5-YL)-3-PHENYL-, MONOHYDROCHLORIDE, (1R,2S,3S,5S)-
Systematic Name English
8-AZABICYCLO(3.2.1)OCTANE, 8-METHYL-2-(3-METHYL-1,2,4-OXADIAZOL-5-YL)-3-PHENYL-, MONOHYDROCHLORIDE, (1R-(EXO,EXO))-
Systematic Name English
Code System Code Type Description
FDA UNII
97YJR5A3TZ
Created by admin on Wed Apr 02 12:15:08 GMT 2025 , Edited by admin on Wed Apr 02 12:15:08 GMT 2025
PRIMARY
EPA CompTox
DTXSID00858306
Created by admin on Wed Apr 02 12:15:08 GMT 2025 , Edited by admin on Wed Apr 02 12:15:08 GMT 2025
PRIMARY
PUBCHEM
131873944
Created by admin on Wed Apr 02 12:15:08 GMT 2025 , Edited by admin on Wed Apr 02 12:15:08 GMT 2025
PRIMARY PUBCHEM
CAS
147059-95-8
Created by admin on Wed Apr 02 12:15:08 GMT 2025 , Edited by admin on Wed Apr 02 12:15:08 GMT 2025
PRIMARY