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AG008TDT

1187595-84-1 | Baricitinib phosphate salt

Chemical structure of Baricitinib phosphate salt, CAS 1187595-84-1
AG008TDT
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CAS Number 1187595-84-1
Catalog Number AG008TDT(AGN-PC-0WADHZ)
Chemical Name Baricitinib phosphate salt
IUPAC Name 2-[1-ethylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;phosphoric acid
InChI InChI=1S/C16H17N7O2S.H3O4P/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14;1-5(2,3)4/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20);(H3,1,2,3,4)
InChI Key FBPOWTFFUBBKBB-UHFFFAOYSA-N
MDL Number MFCD25976707
Molecular Formula C16H20N7O6PS
Molecular Weight 469.4121
SMILES P(=O)(O)(O)O.C(C)S(=O)(=O)N1CC(C1)(N1N=CC(=C1)C=1C2=C(N=CN1)NC=C2)CC#N
UNII XIB47S8NNB
Synonyms
Baricitinib phosphate, 1187595-84-1, Baricitinib (phosphate), Baricitinib phosphate salt, UNII-XIB47S8NNB, XIB47S8NNB, INCB-28050, INCB28050, baricitinib-phosphate, Baricitinib?Phosphate, 3-Azetidineacetonitrile, 1-(ethylsulfonyl)-3-(4-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)-1H-pyrazol-1-yl)-, phosphate (1:1), INCB-028050 phosphate, SCHEMBL871037, KS-00000TSO, DTXSID30657980, SYN1117, C16H17N7O2S.H3PO4, FBPOWTFFUBBKBB-UHFFFAOYSA-N, BCP15527, HY-15315A, AKOS026750447, CS-1378, [1-(Ethylsulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-3-yl]acetonitrile phosphate, AK547065, AS-16260, SC-83640, A15014, W-6091, 2-(3-(4-(7h-pyrrolo[2,3-d]pyrimidin-4-yl)-1h-pyrazol-1-yl)-1-(ethylsulfonyl)azetidin-3-yl)acetonitrile phosphate salt, 2-(3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(ethylsulfonyl)azetidin-3-yl)acetonitrile phosphoric acid salt, 2-[1-ethylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;phosphoric acid, Phosphoric acid--{1-(ethanesulfonyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]azetidin-3-yl}acetonitrile (1/1), INCB028050, 1187595-84-1 (phosphate),

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    Angene International Limited