NAV

Ranimustine

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Ranimustine
DrugBank Accession Number
DB13832
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 327.72
Monoisotopic: 327.0833276
Chemical Formula
C10H18ClN3O7
Synonyms
  • Ranimustine
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Pharmacology

Indication

Not Available

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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
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interactions in your software
AmbroxolThe risk or severity of methemoglobinemia can be increased when Ranimustine is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Ranimustine is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Ranimustine is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Ranimustine is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when Ranimustine is combined with Bupivacaine.
Food Interactions
Not Available

Products

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International/Other Brands
Cymerin

Categories

ATC Codes
L01AD07 — Ranimustine
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Carbohydrates and carbohydrate conjugates
Direct Parent
O-glycosyl compounds
Alternative Parents
Oxanes / Nitrosoureas / Monosaccharides / Semicarbazides / Nitrosamides / Secondary alcohols / Polyols / Oxacyclic compounds / Acetals / Organopnictogen compounds
show 5 more
Substituents
Acetal / Alcohol / Aliphatic heteromonocyclic compound / Alkyl chloride / Alkyl halide / Carbonic acid derivative / Carbonyl group / Hydrocarbon derivative / Monosaccharide / Nitrosamide
show 16 more
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
RYH2T97J77
CAS number
58994-96-0
InChI Key
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
IUPAC Name
3-(2-chloroethyl)-3-nitroso-1-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl}urea
SMILES
CO[C@H]1O[C@H](CNC(=O)N(CCCl)N=O)[C@@H](O)[C@H](O)[C@H]1O

References

General References
Not Available
KEGG Drug
D01760
ChemSpider
64785
ChEBI
32089
ChEMBL
CHEMBL2105348
ZINC
ZINC000003812866
Wikipedia
Ranimustine

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility15.5 mg/mLALOGPS
logP-0.74ALOGPS
logP-1.4Chemaxon
logS-1.3ALOGPS
pKa (Strongest Acidic)12.2Chemaxon
pKa (Strongest Basic)-3.6Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area140.92 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity70.05 m3·mol-1Chemaxon
Polarizability29.55 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0bvi-5593000000-47b3ce375a95894e2a6d
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00bc-0986000000-09148e8371af0536efef
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9412000000-99296940331d38497d18
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03ml-4971000000-32da2ec2be10e340bd61
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001l-9700000000-72153196dc125f758081
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9010000000-fcc5c34171cb28b84ec0
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-8930000000-fe78892154ed837fe5d7
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-166.27867
predicted
DeepCCS 1.0 (2019)
[M+H]+168.63667
predicted
DeepCCS 1.0 (2019)
[M+Na]+175.86255
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:49 / Updated at February 21, 2021 18:54