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540737-29-9

Basic Information
CAS No.: 540737-29-9
Name: Tofacitinib citrate
Article Data: 37
Molecular Structure:
Molecular Structure of 540737-29-9 (Tofacitinib citrate)
Formula: C16H20N6O·C6H8O7
Molecular Weight: 504.50
Synonyms: 3-Piperidinamine, 1-(cyanoacetyl)-4-methyl-N-methyl-N-1H-pyrrolo[2,3-d]pyrimidin-4-yl-, (3R,4R)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1);CP 690500-10;Tofacitinib citrate;
EINECS: 638-826-4
Melting Point: 201 °C (decomp)
Boiling Point: 585.8 °C at 760 mmHg
Flash Point: 308.1 °C
PSA: 221.04000
LogP: 0.23418
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    China (Mainland)  |  Contact Details

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  • Tofacitinib Citratet

  • Casno:

    540737-29-9

    Tofacitinib Citratet

    Min.Order: 100 Gram

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    Appearance:white or light yellow crystalline powder Storage:Store in a cool,dry place and keep away from direct strong light Package:As customer request Application:Used for research and industrial manufacture. Transportation:As

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  • Buy Quality TOFACITINIB CITRATE Powder Best Price

  • Casno:

    540737-29-9

    Buy Quality TOFACITINIB CITRATE Powder Best Price

    Min.Order: 1 Gram

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    Company Introduction 1. Established in 2005, with two independent business divisions: Fine chemicals division; Pharmaceutical division. 2. Main product: Optical brightener Textile auxiliary Dye stuff Pigments Pharmaceutical acti

    AFINE CHEMICALS LIMITED is specialized in the fine chemicals and pharmaceuticals and we have enjoyed great popularity in world markets. Since 2005, we have been rapidly growing to

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    Address:No. 206 Zhen Hua Road, Hangzhou 310030, Zhejiang, China

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Specification

The Tofacitinib citrate, with the CAS registry number 540737-29-9, is also known as 3-Piperidinamine, 1-(cyanoacetyl)-4-methyl-N-methyl-N-1H-pyrrolo[2,3-d]pyrimidin-4-yl-, (3R,4R)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1). This chemical's molecular formula is C16H20N6O·C6H8O7 and molecular weight is 504.50. What's more, its systematic name is 3-{(3R,4R)-4-Methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-piperidinyl}-3-oxopropanenitrile 2-hydroxy-1,2,3-propanetricarboxylate (1:1).

Physical properties of Tofacitinib citrate are: (1)ACD/LogP: 0.275; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 78.05 Å2; (7)Flash Point: 308.1 °C; (8)Enthalpy of Vaporization: 87.51 kJ/mol; (9)Boiling Point: 585.8 °C at 760 mmHg; (10)Vapour Pressure: 1.04E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(O)(CC(=O)O)CC(=O)O.N#CCC(=O)N3CC[C@@H](C)[C@@H](N(c1ncnc2c1ccn2)C)C3
(2)Std. 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
(3)Std. InChIKey: SYIKUFDOYJFGBQ-YLAFAASESA-N