기본 정보
- CAS
132036-88-5- 표준 SMILES
Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c2ccccc21- InChIKey
NTHPAPBPFQJABD-LLVKDONJSA-N- 분자식
- C17H17N3O
- 평균 분자량
- 279.34 g/mol
- 단동위원소 질량
- 279.13716217
개요
Ramosetron is a member of indoles.
이름 및 식별자
- 우선 이름
- Ramosetron
- IUPAC
- (1-methylindol-3-yl)-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone
- 영어명
- Ramosetron
- 분자식
- C17H17N3O
- 분자량
- 279.34
이름 및 동의어
Ramosetron132036-88-5ibsetron hydrochlorideramosetronum(1-methylindol-3-yl)-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone7ZRO0SC54YDTXSID0043842(5R)-5-(1-methyl-1H-indole-3-carbonyl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole5-((1-methyl-3-indolyl)carbonyl)-4,5,6,7-tetrahydro-1H-benzimidazol(1-methylindol-3-yl)-((5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanoneRefChem:178615DTXCID8023842
이름 더 보기
NaseaIbsetronUnii-7zro0sc54yRamosetron, 10 mM in DMSO(-)-(R)-1-Methylindol-3-yl 4,5,6,7-tetrahydro-5-benzimidazolylketone(R)-5-[(1-Methylindole-3-yl)carbonyl]-4,5,6,7-Tetrahydro- 1H-bezimidazole(1-methyl-3-indolyl)-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone
Ramosetron [INN]Nor-YM 060Ramosetron Impurity 5Methanone, (1-methyl-1H-indol-3-yl)[(6R)-4,5,6,7-tetrahydro-1H-benzimidazol-6-yl]-CHEMBL1643895Ramosetron (INN)(-)-(R)-1-Methylindol-3-yl-4,5,6,7-tetrahydro-5-benzimidazolyl ketone(R)-(-)-5-[(1-methyl-3-indolyl)carbonyl]-4,5,6,7-tetrahydrobenzimidazole
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 50.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 413
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 끓는 점
- 579.7 · 579.7±50.0 °C(Predicted)
- 밀도
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.53 · 14.53±0.40(Predicted)
- InChI
- InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t11-/m1/s1
- InChIKey
- NTHPAPBPFQJABD-LLVKDONJSA-N
- SMILES
- C(C1C2=C(N(C)C=1)C=CC=C2)([C@H]1CC2NC=NC=2CC1)=O
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Drugs used to prevent NAUSEA or VOMITING.
Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or SEROTONIN RECEPTOR AGONISTS.
응용 분야
용도Ramosetron is a serotonin 5HT3 receptor antagonist.
상·하류 제품 정보
상류 원료
공급사29 곳
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
Sinoway Industrial co., ltd.+86-0592-5800732 +86-13806035118 · [email protected]
Aladdin Scientific[email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
随州市红旗化工有限公司0722-3257376 13026100080;13235518175 · [email protected]
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