기본 정보
- CAS
1347232-69-2- 표준 SMILES
COc1cc(NC(=O)OCCN(C)C2CCC(OC(=O)C(O)(c3cccs3)c3cccs3)CC2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12- InChIKey
SNXJYSXRLKUBSZ-DKVSQIIISA-N- 분자식
- C39H43ClN4O9S2
- 평균 분자량
- 811.4 g/mol
- 단동위원소 질량
- 810.215999
개요
See also: Las-190792 (annotation moved to).
이름 및 식별자
- 우선 이름
- Hfu99sbd7V
- IUPAC
- [4-[2-[[2-chloro-4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-5-methoxyphenyl]carbamoyloxy]ethyl-methylamino]cyclohexyl] 2-hydroxy-2,2-dithiophen-2-ylacetate
이름 및 동의어
Las190792HFU99SBD7VLAS-1907921347232-69-2UNII-HFU99SBD7V2-Thiopheneacetic acid, alpha-hydroxy-alpha-2-thienyl-, trans-4-((2-((((2-chloro-4-((((2R)-2-(1,2-dihydro-8-hydroxy-2-oxo-5-quinolinyl)-2-hydroxyethyl)amino)methyl)-5-methoxyphenyl)amino)carbonyl)oxy)ethyl)methylamino)cyclohexyl esterAzd 8999orb1982696CHEMBL3916700SCHEMBL14733947SCHEMBL18827756AZD 8999 [WHO-DD]
이름 더 보기
SNXJYSXRLKUBSZ-WBXFWKJNSA-NLAS190792?DA-54799HY-148527CS-0634211[4-[2-[[2-chloro-4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]-5-methoxyphenyl]carbamoyloxy]ethyl-methylamino]cyclohexyl] 2-hydroxy-2,2-dithiophen-2-ylacetate2-THIOPHENEACETIC ACID, .ALPHA.-HYDROXY-.ALPHA.-2-THIENYL-, TRANS-4-((2-((((2-CHLORO-4-((((2R)-2-(1,2-DIHYDRO-8-HYDROXY-2-OXO-5-QUINOLINYL)-2-HYDROXYETHYL)AMINO)METHYL)-5-METHOXYPHENYL)AMINO)CARBONYL)OXY)ETHYL)METHYLAMINO)CYCLOHEXYL ESTERtrans-4-((2-(2-chloro-4-(((R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino)methyl)-5-methoxyphenylcarbamoyloxy)ethyl)-(methyl)amino)cyclohexyl 2-hydroxy-2,2-di(thiophen-2-yl)acetate
데이터베이스 식별자
- CAS
1347232-69-2- PubChem CID
- 54591014
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 235 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 55
- 형식 전하
- 0
- 복잡도
- 1,310
관련 반응
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