Basic information
- CAS
55102-44-8- Standard SMILES
CC1(C)OC2C(COC(=O)c3ccc([N+](=O)[O-])cc3)OC(NC(=O)N(CCCl)N=O)C2O1- InChIKey
YASNUXZKZNVXIS-UHFFFAOYSA-N- Molecular formula
- C18H21ClN4O9
- Average molar mass
- 472.8 g/mol
- Monoisotopic mass
- 472.099706
Names & identifiers
- Preferred name
- Rfcnu
- IUPAC
- [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
- English name
- Bofumustine
- Molecular formula
- C18H21ClN4O9
- Molecular weight
- 472.83
Names & synonyms
RfcnuICIG 1105ICIG 1105; NSC 279194; RFCNUFuro[3,3-dioxole, urea deriv.NSC279194NS00126820Urea,3-O-(1-methylethylidene)-5-O-(4-nitrobenzoyl)-D-ribofuranosyl]-N-nitroso-ICIG-1105BofumustineBofumustine USP/EP/BP1-(2-Chloroethyl)-3-[5-O-(p-nitrobenzoyl)-2-O,3-O-isopropylidene-D-ribofuranosyl]-1-nitrosoureaN-(2-Chloroethyl)-N'-[2-O,3-O-(1-methylethylidene)-5-O-(4-nitrobenzoyl)-D-ribofuranosyl]-N-nitrosourea
Show more names
Urea, N-(2-chloroethyl)-N'-[2,3-o-(1-methylethylidene)-5-o-(4-nitrobenzoyl)-D-ribofuranosyl]-N-nitroso-
Database identifiers
- CAS
55102-44-8- PubChem CID
- 430596
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 726
Physicochemical properties
- Melting point
- 101.5 °C · 101.5°C
- Boiling point
- 124.5 °C · 124.5°C (rough estimate)
- Density
- 1.4868 · 1.4868 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- 8.6 · 8.60±0.60(Predicted)
- FDA UNII
- 6 P52D0J76B · 6P52D0J76B
Chemistry & industry
Applications
UsesBofumustine is a nitrosourea containing compound with some antineoplastic property.
Suppliers8 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
杭州璟皓生物科技有限公司（原河南辛迪加生物）17513242016 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
Watson Biotechnology Co.,Ltd+86-18186686046 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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