磷酸西他列汀一水合物

CAS号
654671-77-9
CCD编号
CCD00911839
分子式
C16 H15 F6 N5 O . H2 O . H3 O4 P
分子量
523.325

基本信息

产品名称: 磷酸西他列汀一水合物
CAS: 654671-77-9
中文同义词: 磷酸西他列汀一水合物
英文同义词: MK-0431 MONOHYDRATE ; 7-[(3R)-3-AMINO-1-OXO-4-(2,4,5-TRIFLUOROPHENYL)BUTYL]-5,6,7,8-TETRAHYDRO-3-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLO[4,3-A]PYRAZINE PHOSPHATE MONOHYDRATE ; SITAGLIPTIN MONOHYDRATE ; JANUVIA ; SITAGLIPTAN PHOSPHATE MONOHYDRATE ; SITAGLIPTIN PHOSPHATE HYDRATE ; SITAGLIPTIN PHOSPHATE MONOHYDRATE ; SITAGLIPTIN MONOPHOSPHATE MONOHYDRATE
MDL号: MFCD10001393
氢键受体数量: 6
氢键供体数量: 1
Smile: c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)N.O.OP(=O)(O)O
InChi: InChI=1S/C16H15F6N5O.H3O4P.H2O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22;1-5(2,3)4;/h4,6,9H,1-3,5,7,23H2;(H3,1,2,3,4);1H2/t9-;;/m1../s1
InChiKey: InChIKey=GQPYTJVDPQTBQC-KLQYNRQASA-N

性质

注解: APPEARANCE: WHITE CRYSTALLINE POWDER

安全信息

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