CAS No.128794-94-5,Mycophenolate mofetil Suppliers

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Basic Information

Molecular Structure:
CAS No.:	128794-94-5
Name:	Mycophenolate mofetil
Article Data:	2
Cas Database

Formula:	C₂₃H₃₁NO₇
Molecular Weight:	433.502
Synonyms:	Cellcept (TN);RS 61443;2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoate;4-Hexenoic acid,6-(1,3-dihydro-4-hydroxy-6- methoxy-7-methyl-3-oxo-5-isobenzofuranyl)- 4-methyl-,2-(4-morpholinyl)ethyl ester,(4E)-;Mycophenolate;
Density:	1.222 g/cm³
Melting Point:	95-96 °C
Boiling Point:	637.6 °C at 760 mmHg
Flash Point:	339.4 °C
Appearance:	White powder
Hazard Symbols:	Xn
Risk Codes:	22
Safety:	22
PSA:	94.53000
LogP:	2.46190

Standards and Recommendations

PURITY: 99% (TLC: 30% METHANOL/METHYLENE CHLORIDE; Rf = 0.44)
SOLUBILITY: Soluble in: DMSO (25 mg/mL); or ETHANOL (25mg/mL, warm)

Specification

The Mycophenolate mofetil, with the CAS registry number 128794-94-5, is also known as . It belongs to the product categories of Pharmaceutical Material and Intermeidates; Active Pharmaceutical Ingredients; Immunosuppressant; Aromatics Compounds; Aromatics; Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C₂₃H₃₁NO₇ and molecular weight is 433.49474. Its IUPAC name is called 2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate. This chemical's classification codes are Immunologic Factors; Immunomodulator; Immunosuppressive agents. Mycophenolate mofetil (MMF)(CellCept by Roche) is a immunosuppressant and prodrug of mycophenolic acid, used extensively in transplant medicine. It is a useful alternative to azathioprine when Aza toxicity precludes use. When you are using this chemical, please be cautious about it. It is harmful if swallowed. You should not breathe its dust.

Physical properties of Mycophenolate mofetil: (1)ACD/LogP: 3.15; (2)ACD/LogD (pH 5.5): 2.14; (3)ACD/LogD (pH 7.4): 3.1; (4)ACD/BCF (pH 5.5): 14.34; (5)ACD/BCF (pH 7.4): 129.6; (6)ACD/KOC (pH 5.5): 121.3; (7)ACD/KOC (pH 7.4): 1096.21; (8)#H bond acceptors: 8; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 11; (11)Index of Refraction: 1.557; (12)Molar Refractivity: 114.22 cm³; (13)Molar Volume: 354.6 cm³; (14)Surface Tension: 48.4 dyne/cm; (15)Density: 1.222 g/cm³; (16)Flash Point: 339.4 °C; (17)Enthalpy of Vaporization: 97.61 kJ/mol; (18)Boiling Point: 637.6 °C at 760 mmHg; (19)Vapour Pressure: 7.51E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)OCCN3CCOCC3)OC
(2)Isomeric SMILES: CC1=C(C(=C(C2=C1COC2=O)O)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)OC
(3)InChI: InChI=1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/b15-4+
(4)InChIKey: RTGDFNSFWBGLEC-SYZQJQIISA-N

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