기본 정보
- 표준 SMILES
Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1- InChIKey
NQDJXKOVJZTUJA-UHFFFAOYSA-N- 분자식
- C15H14N4O
- 평균 분자량
- 266.3 g/mol
- 단동위원소 질량
- 266.11676108
이름 및 식별자
- 우선 이름
- Nevirapine
- IUPAC
- 2-cyclopropyl-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
- 영어명
- Nevirapine
- 분자식
- C15H14N4O
- 분자량
- 266.3
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
129618-40-2- PubChem CID
- 4463
- DTXSID
DTXSID7031797- ChEMBL
CHEMBL57- ChEBI
CHEBI:63613- UNII
- 99DK7FVK1H
- EC Number
- 603-345-0
- Nikkaji
- J420.601K
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 58.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 397
물리화학적 성질
- 녹는점
- 247 °C · 247°C
- 끓는 점
- 409.5 °C · 409.5°C (rough estimate)
- 밀도
- 1.13 · 1.1300 (rough estimate)
- 굴절률
- 1.62 · 1.6200 (estimate)
- 인화점
- 9 ℃ · 9℃
- 저장 조건
- 2 · 2-8°C
- 용해도
- 22 mg/mL · DMSO: ≥22mg/mL
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 2.8 · 2.8(at 25℃)
- 색상
- 흰색에서 황갈색까지
- 수용성
- 0.1 g/L · 0.1g/L(온도 미표시)
- Merck
- 14 · 14,6490
- BCS Class
- 2 · 2
- 주요 응용
- 의약품(소분자)
- InChI
- 1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
- InChIKey
- NQDJXKOVJZTUJA-UHFFFAOYSA-N
- SMILES
- CC1=CC=NC2=C1NC(C(C=CC=N3)=C3N2C4CC4)=O
- EPA
- 6 H-Dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one, · 6H-Dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one, 11-cyclopropyl-5,11-dihydro-4-methyl- (129618-40-2)
화학적 성질
Crystalline Solid
안전 및 규제
안전 데이터
- wgk
- 2
- rtecs
- JM5562500
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- HS 번호
- 29339900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- 스토리지 클래스
- 11 - Combustible Solids
- 유해 물질 데이터
- 129618-40-2(Hazardous Substances Data)
화학 및 산업
응용 분야
개요Nevirapine and its analogues exhibit antiretroviral effect against azothymidine-resistant HIV strains. Nevirapine in combination with ZDV and ddI produced approximately 18% higher CD4 cell counts and a decrease in viral load compared with patients who took ZDV and ddI. Nevirapine is recommended with nucleosides for patients infected with HIV-1 who have experienced clinical or immunologic deterioration. The significant side effects of nevirapine are liver dysfunction and skin rashes.
용도Labelled Nevirapine , a potent (IC50=84nM) and selective non-nucleoside inhibitor of HIV-1 reverse transcriptase. Antiviral.;Labeled Nevirapine, intended for use as an internal standard for the quantification of Nevirapine by GC- or LC-mass spectrometry.
일반 설명Nevirapine (Viramune) is more than 90% absorbed by theoral route and is widely distributed throughout the body. Itdistributes well into breast milk and crosses the placenta.Transplacental concentrations are about 50% those ofserum. The drug is extensively transformed by cytochromeP450 (CYP) to inactive hydroxylated metabolites; it mayundergo enterohepatic recycling.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
추가 설명
정의ChEBI: A dipyridodiazepine that is 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepine which is substituted by methyl, oxo, and cyclopropyl groups at positions 4, 6, and 11, respectively. A non-nucleoside reverse tr nscriptase inhibitor with activity against HIV-1, it is used in combination with other antiretrovirals for the treatment of HIV infection.
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