기본 정보
- CAS
1489263-16-2- 표준 SMILES
CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)C[C@H]3O)CC1)c1ccc(Cl)cc1.Cl- InChIKey
DGGYVQQEWGRNDH-GJYOXNSLSA-N- 분자식
- C24H33Cl2N5O2
- 평균 분자량
- 494.5 g/mol
이름 및 식별자
- 우선 이름
- Ipatasertib Hydrochloride
- IUPAC
- (2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;hydrochloride
- 영어명
- (S)-2-(4-chlorophenyl)-1-(4-((5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl)-3-(isopropylamino)propan-1-one hydrochloride
- 분자식
- C24H33Cl2N5O2
- 분자량
- 494.45712
이름 및 동의어
1489263-16-2Ipatasertib hydrochlorideIpatasertib monohydrochlorideM94BW9PF2LIpatasertib hydrochloride [JAN]Ipatasertib hydrochloride (JAN)(2S)-2-(4-Chlorophenyl)-1-(4-((5R,7R)-6,7-dihydro-7-hydroxy-5-methyl-5H-cyclopentapyrimidin-4-yl)-1-piperazinyl)-3-((1-methylethyl)amino)-1-propanone hydrochloride (1:1)1-Propanone, 2-(4-chlorophenyl)-1-(4-((5R,7R)-6,7-dihydro-7-hydroxy-5-methyl-5H-cyclopentapyrimidin-4-yl)-1-piperazinyl)-3-((1-methylethyl)amino)-, hydrochloride (1:1), (2S)-(2S)-2-(4-Chlorophenyl)-1-(4-((5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta(d)pyrimidin-4-yl)piperazin-1-yl)-3-((propan-2-yl)amino)propan-1-one monohydrochloride(2S)-2-(4-Chlorophenyl)-1-{4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl}-3-[(propan-2-yl)amino]propan-1-one monohydrochlorideRefChem:148622Ipatasertib HCl
이름 더 보기
EOS-60386GDC0068 HClIpatasertib HCl (GDC0068)
(2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;hydrochlorideUNII-M94BW9PF2LSCHEMBL15390324SCHEMBL29393010DGGYVQQEWGRNDH-GJYOXNSLSA-NAKOS040748587D11074(S)-2-(4-Chlorophenyl)-1-(4-((5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl)-3-(isopropylamino)propan-1-one hydrochloride
물성
구조 계산 물성
- 극성 표면적
- 81.6 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 622
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS ClassificationNot Classified
유해성 정보
Hazard Classes and CategoriesNot Classified
화학 및 산업
공급사8 곳
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