CAS Registry Number®
95233-18-4
CAS Name
Atovaquone
Molecular Formula
C22H19ClO3
Molecular Mass
366.84
Compound Properties
-
Melting Point (1)
216-219 °C
Source(s)
- (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
Other Names and Identifiers
InChI
InChI=1/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,26H,5-8H2/t13-,15-
InChIKey
InChIKey=KUCQYCKVKVOKAY-CTYIDZIINA-N
SMILES
O=C1C(=C(O)C(=O)C=2C1=CC=CC2)[C@H]3CC[C@@H](CC3)C4=CC=C(Cl)C=C4
Canonical SMILES
O=C1C(O)=C(C(=O)C=2C=CC=CC12)C3CCC(C4=CC=C(Cl)C=C4)CC3
Other Names for this Substance
- 1,4-Naphthalenedione, 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-
- 1,4-Naphthalenedione, 2-[4-(4-chlorophenyl)cyclohexyl]-3-hydroxy-, trans–
- 2-[trans-4-(4-Chlorophenyl)cyclohexyl]-3-hydroxy-1,4-naphthalenedione
- 566C80
- 566C
- Atovaquone
- Mepron
- Mepron (antipneumocystic)
- BW 556C-80
- BW 566C
- Acuvel
- Wellvone
- Meprone
- Samtirel
- MeSH ID: D053626
