chempirical

Ranimustine

C10H18ClN3O7CAS 58994-96-0327.72 g/mol

Open in Covalent MOL file
OONHONClNOOHOHHO
AcetalAlcoholAlkyl halideEther

Properties

Molecular formula
C10H18ClN3O7
Molar mass
327.72 g/mol
Exact mass
327.0833 Da
Melting point
111 °C
logP
-1.42Crippen estimate
Polar surface area
144.4 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
6
Stereocentres
S, R, S, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
58994-96-0
SMILES
CO[C@H]1O[C@H](CN=C(O)N(CCCl)N=O)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
AHHFEZNOXOZZQA-ZEBDFXRSSA-N
InChI
InChI=1S/C10H18ClN3O7/c1-20-9-8(17)7(16)6(15)5(21-9)4-12-10(18)14(13-19)3-2-11/h5-9,15-17H,2-4H2,1H3,(H,12,18)/t5-,6-,7+,8-,9+/m1/s1

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Names and synonyms

6 names
  • α-D-Glucopyranoside, methyl 6-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-6-deoxy-
  • Methyl 6-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-6-deoxy-α-D-glucopyranoside
  • MCNU
  • Cymerin
  • Cymerine
  • NSC 270516

Work with Ranimustine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Carmustine154-93-848 % similar Methyl beta-D-galactopyranoside1824-94-842 % similar Methyl-α-D-galactose3396-99-442 % similar Methyl α-D-mannopyranoside617-04-942 % similar Methyl β-D-glucopyranoside709-50-242 % similar Methyl α-D-glucopyranoside97-30-342 % similar Lomustine13010-47-441 % similar Methyl β-D-ribofuranoside7473-45-240 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook