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55102-44-8

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Basic Information
CAS No.: 55102-44-8
Name: Bofumustine
Article Data: 2
Molecular Structure:
Molecular Structure of 55102-44-8 (Bofumustine)
Formula: C18H21ClN4O9
Molecular Weight: 472.88
Synonyms: Urea,N-(2-chloroethyl)-N'-[2,3-O-(1-methylethylidene)- 5-O-(4-nitrobenzoyl)-Dribofuranosyl]- N-nitroso-;Urea, N-(2-chloroethyl)-N-[2, 3-O-(1-methylethylidene)-5-O-(4-nitrobenzoyl)-D-ribofuranosyl]-N-n itroso-;Bofumustine;Furo[3,4-d]-1,3-dioxole, urea deriv.;[2-[(2-chloroethyl-nitroso-carbamoyl)amino]-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]oct-4-yl]methyl 4-nitrobenzoate;ICIG 1105;(CHLORO-2-ETIL)-1-(RIBOFURANOSILISOPROPILIDENE-2′,3′-PARANITROBENZOATO)-3-NITROSOUREA;(CHLORO-2-ETHYL)-1-(RIBOFURANOSYLISOPROPY-LIDENE-2′-3′-PARANITROBENZOATE-5′)-3-NITROSOUREA;I.C.I.G. 1105;
Density: 1.61g/cm3
Melting Point: 101.5°C
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Poison by intraperitoneal route. Human mutation data reported. Many N-nitroso compounds are carcinogens. When heated to decomposition it emits toxic fumes of Cl− and NOx. See also N-NITROSO COMPOUNDS.
PSA: 161.58000
LogP: 2.84250
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Chemistry

IUPAC Name:  [4-[[2-Chloroethyl(nitroso)carbamoyl]amino]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-nitrobenzoate
Synonyms of RFCNU (CAS NO.55102-44-8) : Bofumustine ; N-(2-chloroethyl)-N'-[2,3-O-(1-methylethylidine)-5-O-(4-nitrobenzoyl)-ribofuranosyl]-N-nitrosourea (RFCNU) ; N-[(2-chloroethyl)(nitroso)carbamoyl]-2,3-O-(1-methylethylidene)-5-O-(4-nitrobenzoyl)pentofuranosylamine ; Pentofuranosylamine, N-[[(2-chloroethyl)nitrosoamino]carbonyl]-2,3-O-(1-methylethylidene)-, 5-(4-nitrobenzoate)
InChI:InChI=1/C18H21ClN4O9/c1-18(2)31-13-12(9-29-16(24)10-3-5-11(6-4-10)23(27)28)30-15(14(13)32-18)20-17(25)22(21-26)8-7-19/h3-6,12-15H,7-9H2,1-2H3,(H,20,25)
CAS NO:55102-44-8
Molecular Formula:C18H21ClN4O9           
Molecular Weight :472.8337                            
Molecular Structure :
Index of Refraction: 1.647      
Surface Tension: 63.3 dyne/cm 
Density: 1.61 g/cm3 

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 90mg/kg (90mg/kg)   INSERM Symposium. Vol. 19, Pg. 123, 1981.

Safety Profile

Poison by intraperitoneal route. Human mutation data reported. Many N-nitroso compounds are carcinogens. When RFCNU (CAS NO.55102-44-8) is heated to decomposition ,it emits toxic fumes of Cl− and NOx. See also N-NITROSO COMPOUNDS.