기본 정보
- CAS
1456538-51-4- 표준 SMILES
CCCSc1nc2c(nnn2[C@@H]2C[C@H](OCCO)[C@H]3OC(C)(C)O[C@H]32)c(=O)[nH]1- InChIKey
CQHLYYLTSYUATH-RSLMWUCJSA-N- 분자식
- C17H25N5O5S
- 평균 분자량
- 411.5 g/mol
이름 및 식별자
- 우선 이름
- 3-((3aS,4R,6S,6aR)-6-(2-Hydroxyethoxy)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one
- IUPAC
- 3-[(3aR,4S,6R,6aS)-4-(2-hydroxyethoxy)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]-5-propylsulfanyl-6H-triazolo[4,5-d]pyrimidin-7-one
- 영어명
- 3-((3aS,4R,6S,6aR)-6-(2-hydroxyethoxy)-2,2-dimethyltetrahydro- 4H-cyclopenta[d][1,3]dioxol-4-yl)-5-(propylthio)-3H-[1,2,3] triazolo[4,5-d]pyrimidin-7-ol
- 분자식
- C17H25N5O5S
- 분자량
- 411.48
이름 및 동의어
1456538-51-4Ticagrelor Impurity 1493-((3aS,4R,6S,6aR)-6-(2-Hydroxyethoxy)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(6H)-one3-((3aS,4R,6S,6aR)-6-(2-hydroxyethoxy)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-olTicagrelor Impurity 1323-((3aS,4R,6S,6aR)-6-(2-hydroxyethoxy)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7(4H)-one3-((3aS,4R,6S,6aR)-6-(2-Hydroxyethoxy)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol? Ticagrelor ImpurityTicagrelor-32Ticagrelor Impurity 363-((3aS,4R,6S,6aR)-6-(2-hydroxyethoxy)-2,2-dimethyltetrahydro- 4H-cyclopenta[d][1,3]dioxol-4-yl)-5-(propylthio)-3H-[1,2,3] triazolo[4,5-d]pyrimidin-7-3-((3aS,4R,6S,6aR)-6-(2-hydroxyethoxy)-2,2-dimethyltetrahydro- 4H-cyclopenta[d][1,3]dioxol-4-yl)-5-(propylthio)-3H-[1,2,3] triazolo[4,5-d]pyrimidin-7-ol
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 145 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 635
물리화학적 성질
- 끓는 점
- 635.9 · 635.9±65.0 °C(Predicted)
- 밀도
- 1.62 · 1.62±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.33 · 14.33±0.10(Predicted)
화학 및 산업
공급사30 곳
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
廊坊市恒福源医药科技有限公司0316-2883537 19333636468 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
廊坊市泽康医药科技有限公司0316-2883536 19333636468 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
北京康派森医药科技有限公司010-010-52878169 15801002657 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
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