Ranimustine - ≥98% , CAS No.58994-96-0

CAS: 58994-96-0 Cat. No.: R1357228 PubChem CID: 71741

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Canonical Smiles

COC1C(C(C(C(O1)CNC(=O)N(CCCl)N=O)O)O)O

IUPAC Name

1-(2-chloroethyl)-1-nitroso-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]urea

InChIKey

AHHFEZNOXOZZQA-ZEBDFXRSSA-N

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

Isomeric SMILES

CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CNC(=O)N(CCCl)N=O)O)O)O

Alternate CAS

58994-96-0

PubChem CID

71741

MeSH Entry Terms

MCNU;methyl 6-((((2-chloroethyl)nitrosoamino)carbonyl) amino)-6-deoxy-alpha-D-glucopyranoside;methyl 6-(3-(2-chloroethyl)-3-nitrosoiureido)-6-deoxy-alpha-D-glucopyranoside;methyl 6-(3-(2-chloroethyl)-3-nitrosoureido)-6-deoxy-alpha-D-glucopyranoside;ranimu

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 O-glycosyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: O-glycosyl compounds
• Alternative Parents: Oxanes Nitrosoureas Monosaccharides Semicarbazides Nitrosamides Secondary alcohols Polyols Oxacyclic compounds Acetals Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: O-glycosyl compound - Monosaccharide - Nitrosourea - Oxane - Nitrosamide - Semicarbazide - Secondary alcohol - Organic n-nitroso compound - Carbonic acid derivative - Organic nitroso compound - Acetal - Oxacycle - Organoheterocyclic compound - Polyol - Organic oxide - Organochloride - Organohalogen compound - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Alkyl halide - Alkyl chloride - Organopnictogen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• 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.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 327.720 g/mol
• XLogP3: -1.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 327.083 Da
• Monoisotopic Mass: 327.083 Da
• Topological Polar Surface Area: 141.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 362.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.