3-((3R,4R)-4-甲基-3-(甲基(7H-吡咯并[2,3-d]嘧啶-4-基)氨基)哌啶-1-基)-3-氧代丙烷腈 2-羟基丙烷-1,2,3-三羧酸盐，Tofacitinib citrate，540737-29-9-Amadis Chemical

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[CAS No.540737-29-9] A855198 3-((3R,4R)-4-甲基-3-(甲基(7H-吡咯并[2,3-d]嘧啶-4-基)氨基)哌啶-1-基)-3-氧代丙烷腈 2-羟基丙烷-1,2,3-三羧酸盐 98%

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Catalog No.: A855198

Cas No.: 540737-29-9

Molecular Formula: C₂₂H₂₈N₆O₈

Molecular Weight: 504.49

MDL NO: MFCD11616529

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Quality Control of [540737-29-9]

NMR

CNMR

HPLC

LC-MS

Related Doc. of[540737-29-9]

SDS

Specification

MOL

SDF

基础信息 [540737-29-9]

同义词: 3-((3R,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile 2-hydroxypropane-1,2,3-tricarboxylate , Tofacitinib citrate

Appearance: White powder

存储要求: Store in 2-8°C for long term (months)

沸点:

熔点: 201 °C (decomp)

闪点:

Pubchem ID: 10174505

Smiles: C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InchiKey: SYIKUFDOYJFGBQ-YLAFAASESA-N

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

安全信息 [540737-29-9]

GHS Pictogram: