MITOZOLOMIDE

Molecule structure of Mitozolomide (CAS NO.85622-95-3) :

IUPAC Name: 3-(2-chloroethyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide 
Molecular Weight: 242.62248 g/mol
Molecular Formula: C₇H₇ClN₆O₂ 
Density: 1.94 g/cm³ 
Boiling Point: 555.8 °C at 760 mmHg 
Flash Point: 289.9 °C
Index of Refraction: 1.834
Molar Refractivity: 54.99 cm³
Molar Volume: 124.7 cm³
Polarizability: 21.8*10^-24 cm³
Surface Tension: 95.5 dyne/cm 
Enthalpy of Vaporization: 83.72 kJ/mol 
log P (octanol-water): -0.47 
Water Solubility: 1190 mg/L
Vapor Pressure: 7.58E-11 mm Hg 
Henry's Law Constant: 3.74E-14 atm-m³/mole 
Atmospheric OH Rate Constant: 1.68E-11 cm³/molecule-sec
XLogP3: -0.5
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 3
Tautomer Count: 2
Exact Mass: 242.031901
MonoIsotopic Mass: 242.031901
Topological Polar Surface Area: 106
Heavy Atom Count: 16
Complexity: 348
Canonical SMILES: C1=NC(=C2N1C(=O)N(N=N2)CCCl)C(=O)N
InChI: InChI=1S/C7H7ClN6O2/c8-1-2-14-7(16)13-3-10-4(5(9)15)6(13)11-12-14/h3H,1-2H2,(H2,9,15)
InChIKey: QXYYYPFGTSJXNS-UHFFFAOYSA-N
EINECS: 287-943-3
Product Categories: pharmacetical

Development of Mitozolomide (CAS NO.85622-95-3) was discontinued during Phase II clinical trials after it was found to cause severe and unpredictable bone marrow suppression. Temozolomide, which has been in clinical use since 1999, is a less toxic analogue of mitozolomide.

Poison by intraperitoneal route. Human systemic effects by ingestion: nausea or vomiting and blood changes. Experimental reproductive effects. Human mutation data reported. When heated to decomposition it emits toxic fumes of NO_x and Cl⁻.

 Mitozolomide (CAS NO.85622-95-3) is also called 3-(2-Chloroethyl)-3,4-dihydro-4-oxoimidazo(5,1-d)-1,2,3,5-tetrazine-8-carboxamide ; 3-(2-Chloroethyl)-3,4-dihydro-4-oxoimidazo(5,1-d)-as-tetrazine-8-carboxamide ; 8-Carbamoyl-3-(2-chloroethyl)imidazo(5,1-d)-1,2,3,5-tetrazin-4(3H)-one ; Azolastone ; BRN 3618072 ; CCRG 81010 ; M & B 39565 ;
Mitozolomida [Spanish] ; Mitozolomidum ; NSC 353451 ; UNII-E3U7286V3W . Mitozolomide (CAS NO.85622-95-3) is an antineoplastic. It is an imidazotetrazine derivative.