(3R,4S)-TOFACITINIB

pro_cas
1092578-46-5
pro_cdbregno
CCD08275559
pro_formula
C16 H20 N6 O
pro_molWeight
312.375

basic_info

Product_Name: (3R,4S)-TOFACITINIB
CAS: 1092578-46-5
EnglishSynonyms: (3R,4S)-4-METHYL-3-(METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YLAMINO)-BETA-OXO-1-PIPERIDINEPROPANENITRILE ; (3R,4S)-TOFACITINIB
pro_mdlNumber: MFCD23160057
pro_acceptors: 7
pro_donors: 1
pro_smile: C[C@H]1CCN(C[C@@H]1N(C)c2c3cc[nH]c3ncn2)C(=O)CC#N
InChi: InChI=1S/C16H20N6O/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/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13-/m0/s1
InChiKey: InChIKey=UJLAWZDWDVHWOW-AAEUAGOBSA-N

property

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