기본 정보
- CAS
110845-89-1- 표준 SMILES
COC(=O)CC/C=C\CC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/CC(C)(O)/C=C/C1=CCCC1- InChIKey
ZZVPHCPLTZTOBC-XBFCOAIZSA-N- 분자식
- C25H36O5
- 평균 분자량
- 416.5 g/mol
- 단동위원소 질량
- 416.25627424
이름 및 식별자
- 우선 이름
- Remiprostol
- IUPAC
- methyl (Z)-7-[(1R,2R,3R)-2-[(1E,5E)-6-(cyclopenten-1-yl)-4-hydroxy-4-methylhexa-1,5-dienyl]-3-hydroxy-5-oxocyclopentyl]hept-4-enoate
- 현지명
- 레미프로스톨
- 영어명
- Remiprostol
- 분자식
- C25H36O5
- 분자량
- 416.55
이름 및 동의어
REMIPROSTOL110845-89-1YCT6Z40PQRSC-48834methyl (Z)-7-[(1R,2R,3R)-2-[(1E,5E)-6-(cyclopenten-1-yl)-4-hydroxy-4-methylhexa-1,5-dienyl]-3-hydroxy-5-oxocyclopentyl]hept-4-enoate4-Heptenoic acid, 7-(2-(6-(1-cyclopenten-1-yl)-4-hydroxy-4-methyl-1,5-hexadienyl)-3-hydroxy-5-oxocyclopentyl)-, methyl esterUNII-YCT6Z40PQRRemiprostol [USAN:INN]REMIPROSTOL [INN]Remiprostol (USAN/INN)REMIPROSTOL [USAN]REMIPROSTOL [WHO-DD]
이름 더 보기
레미프로스톨4-Heptenoic acid, 7-[2-[6-(1-cyclopenten-1-yl)-4-hydroxy-4-methyl-1,5-hexadien-1-yl]-3-hydroxy-5-oxocyclopentyl]-, methyl ester
SCHEMBL563629CHEMBL2106965DTXSID00891410(+-)-Methyl (Z)-7-((1R,2R,3R)-2-((1E,5E)-(4RS)-6-(1-cyclopenten-1-yl)-4-hydroxy-4-methyl-1,5-hexadienyl)-3-hydroxy-5-oxocyclopentyl)-4-heptenoateD05715Q27294462(+/-)-METHYL (Z)-7-((1R,2R,3R)-2-((1E,5E)-(4RS)-6-(1-CYCLOPENTEN-1-YL)-4-HYDROXY-4-METHYL-1,5-HEXADIENYL)-3-HYDROXY-5-OXOCYCLOPENTYL)-4-HEPTENOATEMethyl (4Z)-7-{(1R,2R,3R)-2-[(1E,5E)-6-(cyclopent-1-en-1-yl)-4-hydroxy-4-methylhexa-1,5-dien-1-yl]-3-hydroxy-5-oxocyclopentyl}hept-4-enoate
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 83.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 702
물리화학적 성질
- 끓는 점
- 552.19 · 552.190±50.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.179 · 1.179±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 13.943 · 13.943±0.60(predicted)
화학 및 산업
응용 분야
용도Anti-ulcerative.
공급사3 곳
2A PharmaChem USA[email protected]
Leancare Ltd.[email protected]
3B Scientific Corporation[email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…