CAS No.209747-05-7,Tolterodin hydrogen tartrate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	209747-05-7
Name:	Tolterodin hydrogen tartrate
Article Data:	28

Formula:	C₂₆H₃₇NO₇
Molecular Weight:	475.57448
Synonyms:	Tolterodin hydrogen tartrate;Tolterodin tartrate
Boiling Point:	442.2 °C at 760 mmHg
Flash Point:	192.1 °C
PSA:	138.53000
LogP:	3.21880

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Specification

The Tolterodine hydrogen tartrate is an organic compound with the formula C₂₆H₃₇NO₇. The systematic name of this chemical is 2-{(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl}-4-methylphenol 2,3-dihydroxybutanedioate (salt). With the CAS registry number 209747-05-7, it is also named as 2,3-Dihydroxybutandisäure--2-{(1R)-3-[bis(1-methylethyl)amino]-1-phenylpropyl}-4-methylbenzolol(1:1).

Physical properties about Tolterodine hydrogen tartrate are: (1)ACD/LogP: 5.77; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 11; (6)ACD/BCF (pH 7.4): 21; (7)ACD/KOC (pH 5.5): 26; (8)ACD/KOC (pH 7.4): 48; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 12.47 Å²; (13)Flash Point: 192.1 °C; (14)Enthalpy of Vaporization: 72.66 kJ/mol; (15)Boiling Point: 442.2 °C at 760 mmHg; (16)Vapour Pressure: 1.97E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(O)C(O)C(=O)O.Oc1ccc(cc1[C@@H](c2ccccc2)CCN(C(C)C)C(C)C)C
(2)InChI: InChI=1/C22H31NO.C4H6O6/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24;5-1(3(7)8)2(6)4(9)10/h6-12,15-17,20,24H,13-14H2,1-5H3;1-2,5-6H,(H,7,8)(H,9,10)/t20-;/m1./s1
(3)InChIKey: TWHNMSJGYKMTRB-VEIFNGETBJ
(4)Std. InChI: InChI=1S/C22H31NO.C4H6O6/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24;5-1(3(7)8)2(6)4(9)10/h6-12,15-17,20,24H,13-14H2,1-5H3;1-2,5-6H,(H,7,8)(H,9,10)/t20-;/m1./s1
(5)Std. InChIKey: TWHNMSJGYKMTRB-VEIFNGETSA-N