Ranimustine
Basic information
- CAS
58994-96-0- Standard SMILES
CO[C@H]1O[C@H](CNC(=O)N(CCCl)N=O)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
AHHFEZNOXOZZQA-ZEBDFXRSSA-N- Molecular formula
- C10H18ClN3O7
- Average molar mass
- 327.72 g/mol
- Monoisotopic mass
- 327.0833276
Overview
Ranimustine is an organic molecular entity.
Names & identifiers
- Preferred name
- Ranimustine
- IUPAC
- 1-(2-chloroethyl)-1-nitroso-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]urea
- English name
- Ranimustine
- Molecular formula
- C10H18ClN3O7
- Molecular weight
- 327.72
Names & synonyms
Ranimustine58994-96-0CymerinMCNURanimustinaRanimustinumNSC-270516RYH2T97J77DTXSID501015584Methyl 6-(3-(2-chloroethyl)-3-nitrosoureido)-6-deoxy-alpha-D-glucopyranosidealpha-D-Glucopyranoside, methyl 6-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-6-deoxy-ranomustine
Show more names
CyMerineThymerinNSC 270516NSC-0270516RCL L16,919-6Ranimustine USP/EP/BP
CymerNSC270516RefChem:875120methyl 6-(3-(2-chloroethyl)-3-nitrosoiureido)-6-deoxy-alpha-D-glucopyranosidemethyl 6-((((2-chloroethyl)nitrosoamino)carbonyl) amino)-6-deoxy-alpha-D-glucopyranosideL01AD07DTXCID5014738353-(2-chloroethyl)-3-nitroso-1-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl)urea
Database identifiers
- CAS
58994-96-0- PubChem CID
- 71741
- DTXSID
DTXSID501015584- ChEMBL
CHEMBL2105348- ChEBI
CHEBI:32089- UNII
- RYH2T97J77
- Nikkaji
- J22.805B
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 362
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 111 · 111-112°
- alpha
- 20 · D20 +93.2° (c = 0.5 in methanol) (Kimura); D25 +73.2° (c = 0.3 in methanol) (Kimura, Sekine)
- Density
- 1.69 · 1.69±0.1 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 10.59 · 10.59±0.46(Predicted)
- color
- Off-White to Pale Yellow
- CAS DataBase Reference
- 58994 · 58994-96-0(CAS DataBase Reference)
- FDA UNII
- 2 T97J77 · RYH2T97J77
- NCI Drug Dictionary
- ranimustine
- ATC code
- 1 AD07 · L01AD07
- Toxicity
- 50 in · LD50 in male rats (mg/kg): 42 i.p., 42 i.v., 50 orally (Kimura)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 in male rats (mg/kg): 42 i.p., 42 i.v., 50 orally (Kimura)
Chemistry & industry
Pharmacology
ATC Code
L - Antineoplastic and immunomodulating agents
QL - Antineoplastic and immunomodulating agents
MeSH Pharmacological ClassificationSubstances that inhibit or prevent the proliferation of NEOPLASMS.
Applications
DescriptionRanimustine, a new nitrosourea derivative, is a water soluble antitumor agent with low hematological toxicity and diabetogenic effect. It is reportedly effective in the treatment of hematologic malignancies, especially the myeloproliferative disorders.
UsesGlucocorticoid with low systemic absorption anti-inflammatory agent
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Ranimustine is an organic molecular entity.
Suppliers
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Compound notes
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