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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H10O4
Molecular Weight 230.2161
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHTHIOCOL MONOACETATE

SMILES

CC(=O)OC1=C(C)C(=O)C2=C(C=CC=C2)C1=O

InChI

InChIKey=LHXWRALYUFOUSA-UHFFFAOYSA-N
InChI=1S/C13H10O4/c1-7-11(15)9-5-3-4-6-10(9)12(16)13(7)17-8(2)14/h3-6H,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Patents

Patents

20080027114
1
20090286788
1
20100168042
1
20100197737
4
Name Type Language
PHTHIOCOL MONOACETATE
Common Name English
PHTHIOCOL ACETATE [MI]
Preferred Name English
2-HYDROXY-3-METHYL-1,4-NAPHTHALENEDIONE ACETATE
Systematic Name English
2-METHYL-3-HYDROXY-1,4-NAPHTHOQUINONE ACETATE
Systematic Name English
1,4-NAPHTHOQUINONE, 2-HYDROXY-3-METHYL-, ACETATE
Systematic Name English
1,4-NAPHTHALENEDIONE, 2-(ACETYLOXY)-3-METHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
15783359
Created by admin on Mon Mar 31 21:16:45 GMT 2025 , Edited by admin on Mon Mar 31 21:16:45 GMT 2025
PRIMARY
CAS
6091-04-9
Created by admin on Mon Mar 31 21:16:45 GMT 2025 , Edited by admin on Mon Mar 31 21:16:45 GMT 2025
PRIMARY
MERCK INDEX
m8760
Created by admin on Mon Mar 31 21:16:45 GMT 2025 , Edited by admin on Mon Mar 31 21:16:45 GMT 2025
PRIMARY Merck Index
FDA UNII
2VET295TIV
Created by admin on Mon Mar 31 21:16:45 GMT 2025 , Edited by admin on Mon Mar 31 21:16:45 GMT 2025
PRIMARY
EPA CompTox
DTXSID10209744
Created by admin on Mon Mar 31 21:16:45 GMT 2025 , Edited by admin on Mon Mar 31 21:16:45 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
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