기본 정보
- CAS
849630-94-0- 표준 SMILES
CCc1cccc2c3c(n(C)c12)C(CC)(CC(=O)O)OCC3- InChIKey
FVGKDAYQHVFRGK-UHFFFAOYSA-N- 분자식
- C18H23NO3
- 평균 분자량
- 301.4 g/mol
- 단동위원소 질량
- 301.1677936
이름 및 식별자
- 우선 이름
- N-Methyl Etodolac
- IUPAC
- 2-(1,8-diethyl-9-methyl-3,4-dihydropyrano[3,4-b]indol-1-yl)acetic acid
- 현지명
- N-메틸에토돌락
- 영어명
- N-Methyl Etodolac
- 분자식
- C18H23NO3
- 분자량
- 301.38
이름 및 동의어
N-Methyl Etodolac849630-94-02-(1,8-diethyl-9-methyl-3,4-dihydropyrano[3,4-b]indol-1-yl)acetic acid2-(1,8-diethyl-9-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acidEtodolac Impurity 13Etodolac Impurity 13YUT6JQ349GCHEMBL45545SCHEMBL4801141DTXSID90556561FVGKDAYQHVFRGK-UHFFFAOYSA-N1,8-Diethyl-1,3,4,9-tetrahydro-9-methylpyrano[3,4-b]indole-1-acetic acid
이름 더 보기
N-메틸에토돌락Etodolac Impurity 12Etoronic acid impurity 13Etodolac Impurity 25 (N-Methyl Etodolac)1,8-Diethyl-1,3,4,9-tetrahydro-9-methyl-pyrano[3,4]indole-1-acetic Aci1,8-Diethyl-1,3,4,9-tetrahydro-9-methyl-pyrano[3,4]indole-1-acetic Acid
(1,8-Diethyl-9-methyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid2-(1,8-Diethyl-9-methyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-acetic acidPyrano[3,4-b]indole-1-acetic acid, 1,8-diethyl-1,3,4,9-tetrahydro-9-methyl-
데이터베이스 식별자
- CAS
849630-94-0- PubChem CID
- 14146242
- DTXSID
DTXSID90556561- ChEMBL
CHEMBL45545- UNII
- YUT6JQ349G
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 51.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 427
물리화학적 성질
- 끓는 점
- 507.9 · 507.9±45.0 °C(Predicted)
- 밀도
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.31 · 4.31±0.10(Predicted)
화학 및 산업
응용 분야
용도N-Methyl Etodolac is used in the preparation of indole derivatives as COX-1-, COX-2-, and β-catenin-inhibitors for treatment of multiple myeloma.
공급사13 곳
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