Almotriptan metabolite M2 supplier

Name
Almotriptan Metabolite M2
EINECS
CAS No. 603137-41-3
Density 1.304 g/cm³
Solubility
Melting Point
Formula C₁₇H₂₅N₃O₄S
Boiling Point 627.9 °C at 760 mmHg
Molecular Weight 367.16
Flash Point 333.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methylsulfonylamino]butanoic acid;
PSA 110.88000
LogP 3.02790

Almotriptan metabolite M2 Specification

The CAS registry number of Butanoic acid,4-[[[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]sulfonyl]amino]- is 603137-41-3. In addition, the molecular formula is C₁₇H₂₅N₃O₄S and the molecular weight is 367.16. Its systematic name is 4-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methylsulfonylamino]butanoic acid.

Physical properties about Butanoic acid,4-[[[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]sulfonyl]amino]- are: (1)ACD/LogP: 0.69; (2)#H bond acceptors: 7; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 9; (5)Polar Surface Area: 110.88 Å²; (6)Index of Refraction: 1.611; (7)Molar Refractivity: 97.9 cm³; (8)Molar Volume: 281.7 cm³; (9)Polarizability: 38.81 ×10^-24cm³; (10)Surface Tension: 59.1 dyne/cm; (11)Density: 1.304 g/cm³; (12)Flash Point: 333.5 °C; (13)Enthalpy of Vaporization: 97.67 kJ/mol; (14)Boiling Point: 627.9 °C at 760 mmHg; (15)Vapour Pressure: 1.25E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CN(C)CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)NCCCC(=O)O
(2)Std. InChI: InChI=1S/C17H25N3O4S/c1-20(2)9-7-14-11-18-16-6-5-13(10-15(14)16)12-25(23,24)19-8-3-4-17(21)22/h5-6,10-11,18-19H,3-4,7-9,12H2,1-2H3,(H,21,22)
(3)Std. InChIKey: KEZMLSBXUODFOL-UHFFFAOYSA-N

Product Name

Almotriptan Metabolite M2

Almotriptan metabolite M2 Specification

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