Ono-8711
기본 정보
- CAS
216158-34-8- 표준 SMILES
Cc1cc(Cl)ccc1S(=O)(=O)NC[C@H]1C2CCC(CC2)[C@@H]1/C=C\CCCC(=O)O- InChIKey
VVEXPDRCGCQELD-CFDZEDGGSA-N- 분자식
- C22H30ClNO4S
- 평균 분자량
- 440 g/mol
- 단동위원소 질량
- 439.1584073
개요
a prostaglandin E receptor EP1 antagonist; structure in first source
이름 및 식별자
- 우선 이름
- Ono-8711
- IUPAC
- (Z)-6-[(2R,3S)-3-[[(4-chloro-2-methylphenyl)sulfonylamino]methyl]-2-bicyclo[2.2.2]octanyl]hex-5-enoic acid
- 영어명
- ONO-8711
- 분자식
- C22H30ClNO4S
- 분자량
- 440
이름 및 동의어
ONO-8711216158-34-8ONO 8711ONO87116-((2S,3S)-3-(4-chloro-2-methylphenysulfonylaminomethyl)-bicyclo(2.2.2)octan-2-yl)-5Z-hexenoic acid(Z)-6-((7S,8R)-7-(((4-chloro-2-methylphenyl)sulfonylamino)methyl)-8-bicyclo(2.2.2)octanyl)hex-5-enoic acid(Z)-6-[(7S,8R)-7-[[(4-chloro-2-methylphenyl)sulfonylamino]methyl]-8-bicyclo[2.2.2]octanyl]hex-5-enoic acidRefChem:168272(Z)-6-[(2R,3S)-3-[[(4-Chloro-2-methylphenyl)sulfonylamino]methyl]-2-bicyclo[2.2.2]octanyl]hex-5-enoic acid6-[(2R,3S)-3-[[[(4-Chloro-2-methylphenyl)sulfonyl]amino]methyl]bicyclo[2.2.2]oct-2-yl]-5Z-hexenoic acid5-Hexenoic acid, 6-((2R,3S)-3-((((4-chloro-2-methylphenyl)sulfonyl)amino)methyl)bicyclo(2.2.2)oct-2-yl)-, (5Z)-GTPL1920
이름 더 보기
ONO 8711/ONO8711VVEXPDRCGCQELD-CFDZEDGGSA-NONO 8711 dicyclohexyl amine salt(Z)-6-((2R,3S)-3-(((4-chloro-2-methylphenyl)sulfonamido)methyl)bicyclo[2.2.2]octan-2-yl)hex-5-enoic acid(5Z)-6-[(2R,3S)-3-[[[(4-Chloro-2-methylphenyl)sulfonyl]amino]methyl]bicyclo[2.2.2]oct-2-yl]-5-hexenoic acid5-Hexenoic acid, 6-[(2R,3S)-3-[[[(4-chloro-2-methylphenyl)sulfonyl]amino]methyl]bicyclo[2.2.2]oct-2-yl]-, (5Z)-
orb1704886SCHEMBL1983864CHEMBL1628612GLXC-20071AKOS040744985DA-56460HY-12182CS-0003141
데이터베이스 식별자
- CAS
216158-34-8- PubChem CID
- 9824507
- ChEMBL
CHEMBL1628612
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 91.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 681
물리화학적 성질
- 밀도
- 1.267 · 1.267
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 20 mg/ml · ≤20mg/ml in ethanol;20mg/ml in DMSO;20mg/ml in dimethyl formamide
- 물리적 상태
- solution in acetate.
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