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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

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

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:47:06 GMT 2023
Edited
by admin
on Sat Dec 16 18:47:06 GMT 2023
Record UNII
97YJR5A3TZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RTI-126 HYDROCHLORIDE
Code English
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)-
Systematic Name 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 Sat Dec 16 18:47:06 GMT 2023 , Edited by admin on Sat Dec 16 18:47:06 GMT 2023
PRIMARY
EPA CompTox
DTXSID00858306
Created by admin on Sat Dec 16 18:47:06 GMT 2023 , Edited by admin on Sat Dec 16 18:47:06 GMT 2023
PRIMARY
PUBCHEM
131873944
Created by admin on Sat Dec 16 18:47:06 GMT 2023 , Edited by admin on Sat Dec 16 18:47:06 GMT 2023
PRIMARY PUBCHEM
CAS
147059-95-8
Created by admin on Sat Dec 16 18:47:06 GMT 2023 , Edited by admin on Sat Dec 16 18:47:06 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE