CAS No.286930-03-8,Fesoterodinefumarate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	286930-03-8
Name:	Fesoterodinefumarate
Article Data:	29

Formula:	C₂₆H₃₇NO₃^.C₄H₄O₄
Molecular Weight:	527.65
Synonyms:	Fesoterodine;Propanoic acid, 2-methyl-, 2-((1R)-3-(bis(1-methylethyl)amino)-1-phenylpropyl)-4-(hydroxymethyl)phenyl ester, (2E)-2-butenedioate (1:1) (salt);2-((1R)-3-(Diisopropylamino)-1-phenylpropyl)-4-(hydroxymethyl)phenyl isobutyrate;2-((1R)-3-(bis(1-methylethyl)amino)-1-phenylpropyl)-4-(hydroxymethyl)phenyl 2-methylpropanoate hydrogen (2E)-butenedioate (salt);(R)-Fesoterodine fumarate;
EINECS:	639-689-3
Melting Point:	72-78 °C
Boiling Point:	518.9 °C at 760 mmHg
Flash Point:	267.6 °C
Appearance:	White solid
PSA:	124.37000
LogP:	5.09290

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Specification

The Fesoterodine fumarate, with the CAS registry number 286930-03-8,is also known as 2-[(1R)-3-[Bis(1-methylethyl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenyl 2-methylpropanoate fumarate. It belongs to the product categories of Intermediates & Fine Chemicals;Pharmaceuticals;Amines. This chemical's molecular formula is C₂₆H₃₇NO₃^.C₄H₄O₄and molecular weight is 527.65.Its EINECS number is 200-449-4. What's more,Its systematic name is Propanoic acid, 2-methyl-, 2-((1R)-3-(bis(1-methylethyl)amino)-1-phenylpropyl)-4-(hydroxymethyl)phenyl ester,(2E)-2-butenedioate (1:1) (salt). It is a White Solid which is a muscarinic antagonist for treatment of overactive bladder.

Physical properties about Fesoterodine fumarate are:
(1)ACD/LogP: 5.075; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1.98; (4)ACD/LogD (pH 7.4): 2.23; (5)ACD/BCF (pH 5.5): 3.40; (6)ACD/BCF (pH 7.4): 6.11; (7)ACD/KOC (pH 5.5): 11.03; (8)ACD/KOC (pH 7.4): 19.82; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 12; (12)Flash Point: 267.6 °C; (13)Enthalpy of Vaporization: 83.33 kJ/mol ; (14)Boiling Point: 518.9 °C at 760 mmHg; (15)Vapour Pressure: 1.36E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:O=C(Oc1ccc(cc1[C@@H](c2ccccc2)CCN(C(C)C)C(C)C)CO)C(C)C.O=C(O)\C=C\C(=O)O;
(2)Std. InChI:InChI=1S/C26H37NO3.C4H4O4/c1-18(2)26(29)30-25-13-12-21(17-28)16-24(25)23(22-10-8-7-9-11-22)14-15-27(19(3)4)20(5)6;5-3(6)1-2-4(7)8/h7-13,16,18-20,23,28H,14-15,17H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t23-;/m1./s1;
(3)Std. InChIKey:MWHXMIASLKXGBU-RNCYCKTQSA-N.

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