Basic information
- CAS
342621-26-5- Standard SMILES
O=C1Nc2c(O)cc(Cl)cc2[C@](C#CC2CC2)(C(F)(F)F)O1- InChIKey
OOVOMPCQLMFEDT-CYBMUJFWSA-N- Molecular formula
- C14H9ClF3NO3
- Average molar mass
- 331.67 g/mol
- Monoisotopic mass
- 331.0223053
Names & identifiers
- Preferred name
- (4R)-6-chloro-4-(2-cyclopropylethynyl)-8-hydroxy-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
- IUPAC
- (4R)-6-chloro-4-(2-cyclopropylethynyl)-8-hydroxy-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
- English name
- ent-8-Hydroxy Efavirenz
- Molecular formula
- C14H9ClF3NO3
- Molecular weight
- 331.67
Names & synonyms
ent-8-Hydroxy Efavirenz342621-26-5(4R)-6-chloro-4-(2-cyclopropylethynyl)-8-hydroxy-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-oneCHEMBL348180DTXSID201111406(S)-6-Chloro-4-cyclopropylethynyl-8-hydroxy-4-trifluoromethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-oneBDBM50097576(4R)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-8-hydroxy-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one(4R)-6-Chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-8-hydroxy-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one;2H-3,1-Benzoxazin-2-one, 6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-8-hydroxy-4-(trifluoromethyl)-, (4R)-2H-3,1-Benzoxazin-2-one, 6-chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-8-hydroxy-4-(trifluoromethyl)-, (4R)-
Database identifiers
- CAS
342621-26-5- PubChem CID
- 487644
- DTXSID
DTXSID201111406- ChEMBL
CHEMBL348180- Nikkaji
- J1.525.085B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 551
Chemistry & industry
Applications
Usesent-8-Hydroxy Efavirenz is a metabolite of Efavirenz (E425000), a nonnucleoside HIV-1 reverse transcriptase inhibitor.
Suppliers4 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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