Tegaserod maleate supplier | CasNO.189188-57-6

Name
Tegaserod maleate
EINECS 630-469-2
CAS No. 189188-57-6
Article Data3
CAS DataBase
Density
Solubility
Melting Point 180-183 °C
Formula C₁₆H₂₃N₅O^.C₄H₄O₄
Boiling Point 661.4 °C at 760 mmHg
Molecular Weight 417.465
Flash Point 353.8 °C
Transport Information
Appearance white powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (2E)-2-[(5-methoxy-1H-indol-3-yl)methylidene]-N-pentylhydrazinecarboximidamide (2Z)-but-2-enedioate (1:1);hydrazinecarboximidamide, 2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pentyl-, (2E)-, (2Z)-2-butenedioate (1:1);Tegaserod;
PSA 168.38000
LogP 3.31610

Synthetic route

: 2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pentylhydrazinecarboximidamide D-(+)-camphorsulphonate

: 110-16-7
maleic acid

: 189188-57-6
tegaserod maleate

Conditions

Conditions	Yield
In dichloromethane; water at 30 - 35℃; for 1h;	90%

: 110-16-7
maleic acid

: 145158-71-0
tegaserod

: 189188-57-6
tegaserod maleate

Conditions

Conditions	Yield
In butanone at 25 - 44℃; for 0.5 - 1h; Purification / work up;	70.2%
In methanol at 25℃; for 0.5h;
In methanol; dichloromethane at 25℃; for 1h; Heating / reflux;
In methanol; isopropyl alcohol at 25℃; for 1h;

Tegaserod maleate Specification

The Hydrazinecarboximidamide,2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pentyl-, with the CAS registry number 189188-57-6, has the systematic name of (2E)-2-[(5-methoxy-1H-indol-3-yl)methylidene]-N-pentylhydrazinecarboximidamide (2Z)-but-2-enedioate (1:1). It is a kind of white powder, and belongs to the following product categories: Active Pharmaceutical Ingredients; Chiral Compound; Intermediates & Fine Chemicals; Pharmaceuticals; Tegaserod. And the molecular formula of the chemical is C₁₆H₂₃N₅O^.C₄H₄O₄.

The characteristics of Hydrazinecarboximidamide,2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pentyl- are as followings: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 2 ; (3)#H bond acceptors: 10; (4)#H bond donors: 6; (5)#Freely Rotating Bonds: 9; (6)Polar Surface Area: 159.89 Å²; (7)Flash Point: 353.8 °C; (8)Enthalpy of Vaporization: 102.24 kJ/mol; (9)Boiling Point: 661.4 °C at 760 mmHg; (10)Vapour Pressure: 2.15E-18 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(=O)/C=C\C(O)=O.CCCCCNC(=N)N\N=C\c2cnc1ccc(cc12)OC
(2)InChI: InChI=1/C16H23N5O.C4H4O4/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15;5-3(6)1-2-4(7)8/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21);1-2H,(H,5,6)(H,7,8)/b20-11+;2-1-
(3)InChIKey: CPDDZSSEAVLMRY-FEQFWAPWBQ

Product Name

Tegaserod maleate

Synthetic route

Tegaserod maleate Specification

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