기본 정보
- CAS
255733-81-4- 표준 SMILES
CCOC(=O)COc1cc(C)c(CCN[C@@H](C)[C@H](O)c2ccc(O)cc2)cc1C- InChIKey
SLXOKVKOBXCWCK-SBUREZEXSA-N- 분자식
- C23H31NO5
- 평균 분자량
- 401.5 g/mol
- 단동위원소 질량
- 401.22022309
개요
prodrug of KUC-7322
이름 및 식별자
- 우선 이름
- Ritobegron ethyl
- IUPAC
- ethyl 2-[4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-2,5-dimethylphenoxy]acetate
이름 및 동의어
Ritobegron ethyl(-)-Ritobegron ethylRitobegron ethyl, (-)-E89L9L8KFH255733-81-4Acetic acid, 2-(4-(2-(((1S,2R)-2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl)amino)ethyl)-2,5-dimethylphenoxy)-, ethyl esterDTXSID30180263Ethyl 2-(4-(2-((2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl)amino)ethyl)-2,5-dimethylphenyloxy)acetateRefChem:179513DTXCID40102754KUC-7483 free baseUNII-E89L9L8KFH
이름 더 보기
orb2814931SCHEMBL2250255SLXOKVKOBXCWCK-SBUREZEXSA-Nethyl 2-[4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-2,5-dimethylphenoxy]acetateT202780Q27277006ethyl (-)-2-[4-[2-[[(1S,2R)-2-hydroxy-2-(4-hydroxy-phenyl)-1-methyethyl]amino]ethyl]-2,5-dimethylphenoxy]acetateethyl (-)-2-[4-[2-[[(1S,2R)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyethyl]amino]ethyl]-2,5-dimethylphenoxy]acetate
데이터베이스 식별자
- CAS
255733-81-4- PubChem CID
- 9810282
- DTXSID
DTXSID30180263- UNII
- E89L9L8KFH
- Nikkaji
- J2.594.076H
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 88 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 480
관련 반응
3건
화합물 노트
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