(3R,4S)-TOFACITINIB ,1092578-46-5 _Chemical Cloud Database

(3R,4S)-TOFACITINIB

Basic Information
Product Name：	(3R,4S)-TOFACITINIB
CAS：	1092578-46-5
English Synonyms：	(3R,4S)-TOFACITINIB
MDL Number.：	MFCD23380593
H bond acceptor：	7
H bond donor：	2
Smile：	C[C@H]1CCN(C[C@@H]1Nc2c3cc[nH]c3ncn2)C(=O)CC#N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChi：	InChI=1S/C15H18N6O.C6H8O7/c1-10-4-7-21(13(22)2-5-16)8-12(10)20-15-11-3-6-17-14(11)18-9-19-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h3,6,9-10,12H,2,4,7-8H2,1H3,(H2,17,18,19,20);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t10-,12-;/m0./s1
InChiKey：	InChIKey=UFVNGTCYRBLZCO-JGAZGGJJSA-N

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