Bofumustine
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- structure.search.product.name Bofumustine
- Product Code: TRC-B699845
- CAS Number: 55102-44-8
- Brand: TRC
Product Overview
Product Code
TRC-B699845
CAS Number
Product Format
Neat
Molecular Formula
C18 H21 Cl N4 O9
Molecular Weight
472.834
Product Categories
TRC, Impurity Reference Materials , Nitrosamine Reference Materials
Product Type
ContaminantDocumentation
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Product Information
Chemical Data
Analyte Name
Bofumustine
CAS Number
55102-44-8
Molecular Formula
C18 H21 Cl N4 O9
Molecular Weight
472.834
Accurate Mass
472.1
SMILES
CC1(C)O[C@@H]2[C@@H](COC(=O)c3ccc(cc3)[N+](=O)[O-])OC(NC(=O)N(CCCl)N=O)[C@@H]2O1
InChI
InChI=1S/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)/t12-,13-,14-,15?/m1/s1
IUPAC
[(3aR,6R,6aR)-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
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Contaminant
Product Format
Neat
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