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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H16N2
Molecular Weight 272.3437
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of YOBYRINE

SMILES

CC1=CC=CC=C1CC2=NC=CC3=C2NC4=C3C=CC=C4

InChI

InChIKey=LQCWIBNVYWPLIU-UHFFFAOYSA-N
InChI=1S/C19H16N2/c1-13-6-2-3-7-14(13)12-18-19-16(10-11-20-18)15-8-4-5-9-17(15)21-19/h2-11,21H,12H2,1H3

HIDE SMILES / InChI

Molecular Formula C19H16N2
Molecular Weight 272.3437
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 Tue Apr 01 19:31:49 GMT 2025
Edited
by admin
on Tue Apr 01 19:31:49 GMT 2025
Record UNII
A64HEJ4TOJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-108045
Preferred Name English
YOBYRINE
Common Name English
9H-PYRIDO(3,4-B)INDOLE, 1-((2-METHYLPHENYL)METHYL)-
Systematic Name English
9H-PYRIDO(3,4-B)INDOLE, 1-(O-METHYLBENZYL)-
Systematic Name English
1-((2-METHYLPHENYL)METHYL)-9H-PYRIDO(3,4-B)INDOLE
Systematic Name English
NSC-121857
Code English
Code System Code Type Description
FDA UNII
A64HEJ4TOJ
Created by admin on Tue Apr 01 19:31:49 GMT 2025 , Edited by admin on Tue Apr 01 19:31:49 GMT 2025
PRIMARY
CAS
525-15-5
Created by admin on Tue Apr 01 19:31:49 GMT 2025 , Edited by admin on Tue Apr 01 19:31:49 GMT 2025
PRIMARY
NSC
121857
Created by admin on Tue Apr 01 19:31:49 GMT 2025 , Edited by admin on Tue Apr 01 19:31:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID10200498
Created by admin on Tue Apr 01 19:31:49 GMT 2025 , Edited by admin on Tue Apr 01 19:31:49 GMT 2025
PRIMARY
NSC
108045
Created by admin on Tue Apr 01 19:31:49 GMT 2025 , Edited by admin on Tue Apr 01 19:31:49 GMT 2025
PRIMARY
PUBCHEM
5377490
Created by admin on Tue Apr 01 19:31:49 GMT 2025 , Edited by admin on Tue Apr 01 19:31:49 GMT 2025
PRIMARY