枸橼酸托法替尼

CAS号
540737-29-9
CCD编号
CCD01230196
分子式
C16 H20 N6 O . C6 H8 O7
分子量
504.497

基本信息

产品名称: 枸橼酸托法替尼
CAS: 540737-29-9
中文同义词: 托法替尼 ; 枸橼酸托法替尼
英文同义词: CP-690550-10 CITRATE SALT ; TASOCITINIB CITRATE ; (3R,4R)-4-METHYL-3-(METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YLAMINO)-BETA-OXO-1-PIPERIDINEPROPANENITRILE CITRATE SALT ; TOFACITINIB CITRATE ; TOFACITINIB (CP-690550) CITRATE ; TOFACITINIB, CITRATE SALT ; CP 690550 CITRATE ; 1-PIPERIDINEPROPANENITRILE, 4-METHYL-3-(METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YLAMINO)-BETA-OXO-, (3R,4R)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1) ; 3-[(3R,4R)-4-METHYL-3-[METHYL-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)AMINO]PIPERIDIN-1-YL]-3-OXOPROPANENITRILE CITRATE SALT ; TASOCITINIB CITRATE SALT
MDL号: MFCD11616529
氢键受体数量: 7
氢键供体数量: 1
Smile: C[C@@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)CC#N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChi: InChI=1S/C16H20N6O.C6H8O7/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t11-,13+;/m1./s1
InChiKey: InChIKey=SYIKUFDOYJFGBQ-YLAFAASESA-N

性质

安全信息

WGK德国: 3

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