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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H8N2O
Molecular Weight 232.2368
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SAMPANGINE

SMILES

O=C1C2=CC=CC=C2C3=NC=CC4=CC=NC1=C34

InChI

InChIKey=BWQKHOMAOVUASZ-UHFFFAOYSA-N
InChI=1S/C15H8N2O/c18-15-11-4-2-1-3-10(11)13-12-9(5-7-16-13)6-8-17-14(12)15/h1-8H

HIDE SMILES / InChI

Molecular Formula C15H8N2O
Molecular Weight 232.2368
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 12:44:00 GMT 2023
Edited
by admin
on Sat Dec 16 12:44:00 GMT 2023
Record UNII
F1EAG7D138
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SAMPANGINE
Common Name English
7H-NAPHTHO(1,2,3-IJ)(2,7)NAPHTHYRIDIN-7-ONE
Systematic Name English
SAMPANGIN
Common Name English
BC-1-21
Code English
NSC-680736
Code English
Code System Code Type Description
NSC
680736
Created by admin on Sat Dec 16 12:44:00 GMT 2023 , Edited by admin on Sat Dec 16 12:44:00 GMT 2023
PRIMARY
CAS
116664-93-8
Created by admin on Sat Dec 16 12:44:00 GMT 2023 , Edited by admin on Sat Dec 16 12:44:00 GMT 2023
PRIMARY
PUBCHEM
387195
Created by admin on Sat Dec 16 12:44:00 GMT 2023 , Edited by admin on Sat Dec 16 12:44:00 GMT 2023
PRIMARY
FDA UNII
F1EAG7D138
Created by admin on Sat Dec 16 12:44:00 GMT 2023 , Edited by admin on Sat Dec 16 12:44:00 GMT 2023
PRIMARY
EPA CompTox
DTXSID3041118
Created by admin on Sat Dec 16 12:44:00 GMT 2023 , Edited by admin on Sat Dec 16 12:44:00 GMT 2023
PRIMARY