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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H15NO6
Molecular Weight 365.3362
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,5-Dioxodehydrocrebanine

SMILES

COC1=CC=C2C(C=C3N(C)C(=O)C(=O)C4=CC5=C(OCO5)C2=C34)=C1OC

InChI

InChIKey=TVMABCBARSLKAA-UHFFFAOYSA-N
InChI=1S/C20H15NO6/c1-21-12-6-10-9(4-5-13(24-2)18(10)25-3)16-15(12)11(17(22)20(21)23)7-14-19(16)27-8-26-14/h4-7H,8H2,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
4,5-Dioxodehydrocrebanine
Common Name English
5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline-5,6(7H)-dione, 9,10-dimethoxy-7-methyl
Systematic Name English
9,10-Dimethoxy-7-methyl-5H-benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline-5,6(7H)-dione
Systematic Name English
Code System Code Type Description
FDA UNII
26H669Z7WC
Created by admin on Sat Dec 16 08:31:50 GMT 2023 , Edited by admin on Sat Dec 16 08:31:50 GMT 2023
PRIMARY
EPA CompTox
DTXSID10228399
Created by admin on Sat Dec 16 08:31:50 GMT 2023 , Edited by admin on Sat Dec 16 08:31:50 GMT 2023
PRIMARY
PUBCHEM
149599
Created by admin on Sat Dec 16 08:31:50 GMT 2023 , Edited by admin on Sat Dec 16 08:31:50 GMT 2023
PRIMARY
CAS
77784-21-5
Created by admin on Sat Dec 16 08:31:50 GMT 2023 , Edited by admin on Sat Dec 16 08:31:50 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966