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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H21N3O
Molecular Weight 283.3681
Optical Activity ( + )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RTI-126

SMILES

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

InChI

InChIKey=QSHBOMWRGOGQOF-JJXSEGSLSA-N
InChI=1S/C17H21N3O/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/t13-,14+,15+,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H21N3O
Molecular Weight 283.3681
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:57:26 GMT 2023
Edited
by admin
on Sat Dec 16 17:57:26 GMT 2023
Record UNII
4PX95UA5MZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RTI-126
Code English
8-AZABICYCLO(3.2.1)OCTANE, 8-METHYL-2-(3-METHYL-1,2,4-OXADIAZOL-5-YL)-3-PHENYL-, (1R,2S,3S,5S)-
Systematic Name English
(1R,2S,3S,5S)-8-METHYL-2-(3-METHYL-1,2,4-OXADIAZOL-5-YL)-3-PHENYL-8-AZABICYCLO(3.2.1)OCTANE
Systematic Name English
Code System Code Type Description
FDA UNII
4PX95UA5MZ
Created by admin on Sat Dec 16 17:57:26 GMT 2023 , Edited by admin on Sat Dec 16 17:57:26 GMT 2023
PRIMARY
PUBCHEM
10085245
Created by admin on Sat Dec 16 17:57:26 GMT 2023 , Edited by admin on Sat Dec 16 17:57:26 GMT 2023
PRIMARY
CAS
146659-37-2
Created by admin on Sat Dec 16 17:57:26 GMT 2023 , Edited by admin on Sat Dec 16 17:57:26 GMT 2023
PRIMARY
EPA CompTox
DTXSID801045255
Created by admin on Sat Dec 16 17:57:26 GMT 2023 , Edited by admin on Sat Dec 16 17:57:26 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY