기본 정보
- CAS
68123-30-8- 표준 SMILES
O=c1ccc2cc3c(c(O)c2o1)OCC3- InChIKey
GWDMSCZQYHAETO-UHFFFAOYSA-N- 분자식
- C11H8O4
- 평균 분자량
- 204.18 g/mol
- 단동위원소 질량
- 204.04225874
개요
2,3-Dihydroxanthotoxol has been reported in Aegle marmelos with data available.
이름 및 식별자
- 우선 이름
- 2,3-Dihydro-9-hydroxy-7H-furo[3,2-g][1]benzopyran-7-one
- IUPAC
- 9-hydroxy-2,3-dihydrofuro[3,2-g]chromen-7-one
- 영어명
- 2,3-Dihydro-9-hydroxy-7H-furo[3,2-g][1]benzopyran-7-one
- 분자식
- C11H8O4
- 분자량
- 204.18
이름 및 동의어
2,3-Dihydro-9-hydroxy-7H-furo[3,2-g][1]benzopyran-7-one2,3-Dihydroxanthotoxol9-hydroxy-2,3-dihydrofuro[3,2-g]chromen-7-oneEINECS 268-548-5DTXSID00711207H-Furo(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-9-hydroxy-7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-9-hydroxy-2,3-Dihydro-9-hydroxy-7H-furo(3,2-g)(1)benzopyran-7-one9-hydroxy-2,3-dihydrofuro(3,2-g)chromen-7-oneRefChem:81718DTXCID4045555268-548-5
이름 더 보기
Celecoxib Impurity 682-g][1]benzopyran-7-one,2,3-dihydro-9-hydroxy-7h-furo[
68123-30-89-Hydroxy-2H-furo[3,2-g]chromen-7(3H)-one9-hydroxy-2,3-dihydro-7h-furo[3,2-g]chromen-7-one4',5'-Dihydro-8-Hydroxy Psoralen9-hydroxy-2,3-dihydrofuro[3,2-g][1]benzopyran-7-oneMethoxsalen Impurity 12,3-Dihydro-9-hydroxy-7H-furo[3,2-g][1]benzopyran-7-one; 2,3-Dihydro-6,7-dihydroxy-5-benzofuranacrylic Acid ?-Lactone; 2,3-Dihydroxanthotoxol;Xanthotoxin Impurity A
데이터베이스 식별자
- CAS
68123-30-8
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 55.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 312
물리화학적 성질
- 녹는점
- 204 · 204-205℃ (ethanol )
- 끓는 점
- 421.7 · 421.7±45.0 °C(Predicted)
- 밀도
- 1.505 · 1.505±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- 용해도
- DMSO (Slightly, Heated), Methanol (Slightly, Heated)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 7.87 · 7.87±0.20(Predicted)
- 색상
- 밝은 녹색에서 밝은 회색까지
- EPA
- 7 H-Furo[3,2-g][1]benzopyran-7-one, · 7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-9-hydroxy- (68123-30-8)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-9-hydroxy-: INACTIVE
응용 분야
용도4',5'-Dihydro-8-hydroxypsoralen is a furancouramin with inhibitory activity on CYP3A4 as well as inhibitory effects on prostaglandin E2 production. 4',5'-Dihydro-8-hydroxypsoralen is an impurity of 8-Methoxypsoralen (M260795), also known as Methoxsalen.
공급사20 곳
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