(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)-4-METHYL-3-(METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YLAMINO)-BETA-OXO-1-PIPERIDINEPROPANENITRILE ; (3R,4S)-TOFACITINIB
MDL Number.：	MFCD23160057
H bond acceptor：	7
H bond donor：	1
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
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