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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H5NO2
Molecular Weight 147.1308
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AGROCYBIN

SMILES

NC(=O)C#CC#CC#CCO

InChI

InChIKey=OXONWCQUZYDTNF-UHFFFAOYSA-N
InChI=1S/C8H5NO2/c9-8(11)6-4-2-1-3-5-7-10/h10H,7H2,(H2,9,11)

HIDE SMILES / InChI

Molecular Formula C8H5NO2
Molecular Weight 147.1308
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 Mon Mar 31 21:15:51 GMT 2025
Edited
by admin
on Mon Mar 31 21:15:51 GMT 2025
Record UNII
A0AFV4JUIT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-636326
Preferred Name English
AGROCYBIN
MI  
Common Name English
AGROCYBIN [MI]
Common Name English
8-HYDROXY-2,4,6-OCTATRIYNAMIDE
Systematic Name English
2,4,6-OCTATRIYNAMIDE, 8-HYDROXY-
Systematic Name English
Code System Code Type Description
CHEBI
59833
Created by admin on Mon Mar 31 21:15:51 GMT 2025 , Edited by admin on Mon Mar 31 21:15:51 GMT 2025
PRIMARY
PUBCHEM
11004
Created by admin on Mon Mar 31 21:15:51 GMT 2025 , Edited by admin on Mon Mar 31 21:15:51 GMT 2025
PRIMARY
FDA UNII
A0AFV4JUIT
Created by admin on Mon Mar 31 21:15:51 GMT 2025 , Edited by admin on Mon Mar 31 21:15:51 GMT 2025
PRIMARY
NSC
636326
Created by admin on Mon Mar 31 21:15:51 GMT 2025 , Edited by admin on Mon Mar 31 21:15:51 GMT 2025
PRIMARY
CAS
544-44-5
Created by admin on Mon Mar 31 21:15:51 GMT 2025 , Edited by admin on Mon Mar 31 21:15:51 GMT 2025
PRIMARY
MERCK INDEX
m1455
Created by admin on Mon Mar 31 21:15:51 GMT 2025 , Edited by admin on Mon Mar 31 21:15:51 GMT 2025
PRIMARY Merck Index
EPA CompTox
DTXSID20202786
Created by admin on Mon Mar 31 21:15:51 GMT 2025 , Edited by admin on Mon Mar 31 21:15:51 GMT 2025
PRIMARY