Mivobulin isethionate supplier

Name
Mivobulin isethionate
EINECS
CAS No. 126268-81-3
Density
Solubility
Melting Point
Formula C₁₇H₁₉N₅O₂^.C₂H₆O₄S
Boiling Point 483 °C at 760mmHg
Molecular Weight 451.50
Flash Point 245.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms ethyl N-[(9S)-5-amino-9-methyl-8-phenyl-4,7,10-triazabicyclo[4.4.0]deca-1,3,5,7-tetraen-3-yl]carbamate; 2-hydroxyethanesulfonic acid;Ethanesulfonic acid,2-hydroxy-,compd. with ethyl (2S)-(5-amino-1,2-dihydro-2-methyl- 3-phenylpyrido[3,4-b]pyrazin-7-yl)carbamate (1:1);CI 980;
PSA 184.61000
LogP 3.34210

Mivobulin isethionate Specification

The Mivobulin isethionate, with the cas registry number of 126268-81-3, is also known as 2-Hydroxyethanesulfonic acid-ethyl [(2S)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate (1:1). This chemical's molecular formula is C₁₇H₁₉N₅O₂.C₂H₆O₄S and formula weight is 451.50. What's more, both its IUPAC name and systematic name are the same which is called Ethyl N-[(2S)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate; 2-hydroxyethanesulfonic acid. This chemical's classification code is antineoplastic [microtubule inhibitor].

Physical properties about this chemical are: (1)ACD/LogP: 0.19; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 61.27 Å²; (7)Flash Point: 245.9 °C; (8)Enthalpy of Vaporization: 74.8 kJ/mol; (9)Boiling Point: 483 °C at 760 mmHg; (10)Vapour Pressure: 1.74E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)NC1=NC(=C2C(=C1)NC(C(=N2)C3=CC=CC=C3)C)N.C(CS(=O)(=O)O)O;
(2)Isomeric SMILES: CCOC(=O)NC1=NC(=C2C(=C1)N[C@H](C(=N2)C3=CC=CC=C3)C)N.C(CS(=O)(=O)O)O;
(3)InChI: InChI=1S/C17H19N5O2.C2H6O4S/c1-3-24-17(23)21-13-9-12-15(16(18)20-13)22-14(10(2)19-12)11-7-5-4-6-8-11;3-1-2-7(4,5)6/h4-10,19H,3H2,1-2H3,(H3,18,20,21,23);3H,1-2H2,(H,4,5,6)/t10-;/m0./s1;
(4)InChIKey: JEFPWOBULVSOTM-PPHPATTJSA-N.

Product Name

Mivobulin isethionate

Mivobulin isethionate Specification

Related Products

Hot Products