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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H11NO4
Molecular Weight 233.22
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CASIMIROIN

SMILES

COC1=CC(=O)N(C)C2=C3OCOC3=CC=C12

InChI

InChIKey=DPXXJCMMMXZVSW-UHFFFAOYSA-N
InChI=1S/C12H11NO4/c1-13-10(14)5-9(15-2)7-3-4-8-12(11(7)13)17-6-16-8/h3-5H,6H2,1-2H3

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Synthesis of carbon-11-labeled casimiroin analogues as new potential PET agents for imaging of quinone reductase 2 and aromatase expression in breast cancer.
2010 Dec
Patents

Patents

Name Type Language
CASIMIROIN
MI  
Common Name English
CASIMIROINE
Common Name English
CASIMIROIN [MI]
Common Name English
1,3-DIOXOLO(4,5-H)QUINOLIN-8(9H)-ONE, 6-METHOXY-9-METHYL-
Systematic Name English
6-METHOXY-9-METHYL-1,3-DIOXOLO(4,5-H)QUINOLIN-8(9H)-ONE
Systematic Name English
Code System Code Type Description
MERCK INDEX
m105
Created by admin on Sat Dec 16 18:15:55 GMT 2023 , Edited by admin on Sat Dec 16 18:15:55 GMT 2023
PRIMARY Merck Index
CAS
477-89-4
Created by admin on Sat Dec 16 18:15:55 GMT 2023 , Edited by admin on Sat Dec 16 18:15:55 GMT 2023
PRIMARY
DRUG BANK
DB08744
Created by admin on Sat Dec 16 18:15:55 GMT 2023 , Edited by admin on Sat Dec 16 18:15:55 GMT 2023
PRIMARY
PUBCHEM
124075
Created by admin on Sat Dec 16 18:15:55 GMT 2023 , Edited by admin on Sat Dec 16 18:15:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID90197256
Created by admin on Sat Dec 16 18:15:55 GMT 2023 , Edited by admin on Sat Dec 16 18:15:55 GMT 2023
PRIMARY
FDA UNII
1X2A1U6BH3
Created by admin on Sat Dec 16 18:15:55 GMT 2023 , Edited by admin on Sat Dec 16 18:15:55 GMT 2023
PRIMARY