FDA全球物质注册数据库(FDA Global Substance Registration System)
物质名称ORN-0829 HYDRATE
异名/同义词TS-142
METHANONE, ((2S)-2-((3-(5-FLUORO-2-PYRIDINYL)-1H-PYRAZOL-1-YL)METHYL)DIHYDRO-2H-1,3-OXAZIN-3(4H)-YL)(5-METHYL-2-(2H-1,2,3-TRIAZOL-2-YL)PHENYL)-, HYDRATE (4:1)
ORN0829 HYDRATE
ORN-0829 HYDRATE
CAS登记号2265899-50-9
物质唯一标识(Unique Ingredient Identifier)O67SLE6VA3
分子式4C23H22FN7O2.H2O
国际化合物标识(International Chemical Identifier,InChI)VFOCOQRYYZPTLV-RUCMDRKWSA-N
SMILESC(=O)(c1c(ccc(c1)C)-n2nccn2)N3[C@H](Cn4nc(cc4)-c5ccc(cn5)F)OCCC3.O.C(=O)(c1c(ccc(c1)C)-n2nccn2)N3[C@H](Cn4nc(cc4)-c5ccc(cn5)F)OCCC3.C(=O)(c1c(ccc(c1)C)-n2nccn2)N3[C@H](Cn4nc(cc4)-c5ccc(cn5)F)OCCC3.C(=O)(c1c(ccc(c1)C)-n2nccn2)N3[C@H](Cn4nc(cc4)-c5ccc(cn5)F)OCCC3
分子结构式
欧洲化学品管理局注册号(ECHA)
成分类型INGREDIENT SUBSTANCE / chemical
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