Basic information
- CAS
205754-32-1- Standard SMILES
O=C1Nc2c(O)cc(Cl)cc2C(C#CC2CC2)(C(F)(F)F)O1- InChIKey
OOVOMPCQLMFEDT-UHFFFAOYSA-N- Molecular formula
- C14H9ClF3NO3
- Average molar mass
- 331.67 g/mol
- Monoisotopic mass
- 331.0223053
Names & identifiers
- Preferred name
- rac 8-Hydroxy Efavirenz
- IUPAC
- 6-chloro-4-(2-cyclopropylethynyl)-8-hydroxy-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
- English name
- rac 8-Hydroxy Efavirenz
- Molecular formula
- C14H9ClF3NO3
- Molecular weight
- 331.67
Names & synonyms
rac 8-Hydroxy Efavirenz205754-32-16-CHLORO-4-(2-CYCLOPROPYLETHYNYL)-8-HYDROXY-4-(TRIFLUOROMETHYL)-1H-3,1-BENZOXAZIN-2-ONECHEMBL46450702H-3,1-Benzoxazin-2-one, 6-chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-8-hydroxy-4-(trifluoromethyl)-6-Chloro-4-(cyclopropylethynyl)-8-hydroxy-4-(trifluoromethyl)-1H-benzo[d][1,3]oxazin-2(4H)-oneMFCD09840726starbld0009374(Rac)-8-Hydroxy-efavirenzB382S6VSZ8orb3021976SCHEMBL1152018
Show more names
Evelviren impurity 2(RAC 8-hydroxy-efeviren)Efavirenz Impurity 12(rac 8-Hydroxy Efavirenz)6-chloro-4-(cyclopropylethynyl)-8-hydroxy-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one6-Chloro-4-(cyclopropylethynyl)-1,4-dihydro-8-hydroxy-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one
OOVOMPCQLMFEDT-UHFFFAOYSA-NDTXSID201043213FIA75433BDBM50540110TYD-02043PD117322HY-131422NS00009526
Database identifiers
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
Physicochemical properties
- Melting point
- 186 · 186-188C
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
Chemistry & industry
Applications
UsesA metabolite of Efavirenz, a nonnucleoside HIV-1 reverse transcriptase inhibitor
UsesA metabolite of Efavirenz (E425000), a nonnucleoside HIV-1 reverse transcriptase inhibitor.
Suppliers18 total
济南百隆化学有限公司[email protected] · [email protected]
奥夫仑医药（四川）有限公司17336178085 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
Guangzhou Tosun Pharmaceutical Limited+86-18124244216 +86-18124244216 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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