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기본 정보
- CAS
205754-33-2- 표준 SMILES
O=C1Nc2c(O)cc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1- InChIKey
OOVOMPCQLMFEDT-ZDUSSCGKSA-N- 분자식
- C14H9ClF3NO3
- 평균 분자량
- 331.677 g/mol
- 단동위원소 질량
- 331.02230549
이름 및 식별자
- 우선 이름
- 6-Chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-4H-3,1-benzoxazine-2,8-diol
- IUPAC
- (4S)-6-Chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-4H-3,1-benzoxazine-2,8-diol
- 영어명
- Rac 8-hydroxy efavirenz
- 분자식
- C14H9ClF3NO3
- 분자량
- 331.67
이름 및 동의어
8-HydroxyEfavirenzRac 8-hydroxy efavirenz8-hydroxy Efavirenz (Standard)8-Hydroxyefavirenz/205754-33-2Efavirenz Impurity 11(8-Hydroxy Efavirenz)(4S)-6-chloro-4-(2-cyclopropylethynyl)-8-hydroxy-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one6-Chloro-4-(cyclopropyl-d4-ethynyl)-1,4-dihydro-8-hydroxy-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one2H-3,1-Benzoxazin-2-one,6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-8-hydroxy-4-(trifluoromethyl)-, (4S)-(S)-6-Chloro-4-(cyclopropylethynyl)-8-hydroxy-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one2H-3,1-Benzoxazin-2-one, 6-chloro-4-(2-cyclopropylethynyl)-1,4-dihydro-8-hydroxy-4-(trifluoromethyl)-, (4S)-
데이터베이스 식별자
- CAS
205754-33-2- PubChem CID
- 487643
- DTXSID
DTXSID50942769- ChEMBL
CHEMBL1309- UNII
- P8S49CKH6L
- Nikkaji
- J1.525.087I
물성
물리화학적 성질
- 녹는점
- 144 · 144-154°C
- 끓는 점
- 373.6 · 373.6±42.0 °C(Predicted)
- 밀도
- 1 · 1+-.0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- Acetonitrile: soluble; DMSO: soluble; Methanol: soluble
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 7.18 · 7.18±0.40(Predicted)
- 색상
- White to off-white
- InChI
- InChI=1S/C14H9ClF3NO3/c15-8-5-9-11(10(20)6-8)19-12(21)22-13(9,14(16,17)18)4-3-7-1-2-7/h5-7,20H,1-2H2,(H,19,21)/t13-/m0/s1
- InChIKey
- OOVOMPCQLMFEDT-ZDUSSCGKSA-N
- SMILES
- N1C2=C(O)C=C(Cl)C=C2[C@@](C#CC2CC2)(C(F)(F)F)OC1=O
화학적 성질
Off-White Solid
화학 및 산업
응용 분야
개요8-hydroxy Efavirenz is a major oxidative metabolite of the non-nucleoside reverse transcriptase inhibitor efavirenz . 8-hydroxy Efavirenz is formed when efavirenz is metabolized by the cytochrome P450 (CYP) isoform CYP2B6. It induces apoptosis in rat primary hippocampal neurons and loss of dendritic spines in rat primary hippocampal neuronal cultures when used at a concentration of 0.01 μM.
용도A labellebed metabolite of Efavirenz, a nonnucleoside HIV-1 reverse transcriptase inhibitor
공급사29 곳
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [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]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
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