Busulfan-d8 , CAS No.116653-28-2

CAS: 116653-28-2 Cat. No.: B345147 Formule: C₆H₆D₈O₆S₂ Poids moléculaire: 254.35 Numéro CE: 110-432-2

Synonyms

(1,1,2,2,3,3,4,4-octadeuterio-4-methylsulfonyloxybutyl) methanesulfonate | Busulphan-d8 | AKOS030241600 | Busulfex-d8 | (~2~H_8_)Butane-1,4-diyl dimethanesulfonate | 1,4-Butane-1,1,2,2,3,3,4,4-d8-diol, dimethanesulfonate (9CI) | HY-B0245S | J-003467 | 4-(

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Busulfan-d8 is an Antineoplastic, alkylating agent with antileukemic activity.

Specifications

Synonymes

(1,1,2,2,3,3,4,4-octadeuterio-4-methylsulfonyloxybutyl) methanesulfonate | Busulphan-d8 | AKOS030241600 | Busulfex-d8 | (~2~H_8_)Butane-1,4-diyl dimethanesulfonate | 1,4-Butane-1,1,2,2,3,3,4,4-d8-diol, dimethanesulfonate (9CI) | HY-B0245S | J-003467 | 4-(

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

• Sourires canoniques: CS(=O)(=O)OCCCCOS(=O)(=O)C
• IUPAC Name: (1,1,2,2,3,3,4,4-octadeuterio-4-methylsulfonyloxybutyl) methanesulfonate
• InChIKey: COVZYZSDYWQREU-SQUIKQQTSA-N
• INCHI: 1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3/i3D2,4D2,5D2,6D2
• Isomères SMILES: [2H]C([2H])(C([2H])([2H])C([2H])([2H])OS(=O)(=O)C)C([2H])([2H])OS(=O)(=O)C
• RTECS: EK1750000
• Poids moléculaire: 254.35
• Reaxy-Rn: 1791786
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1791786&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acid esters
• Alternative Parents: Sulfonic acid esters Sulfonyls Methanesulfonates Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organosulfonic acid ester - Sulfonic acid ester - Sulfonyl - Methanesulfonate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organosulfonic acid esters. These are esters of sulfonic acid, which have the general structure RS(=O)2OR' (R,R' = organyl, not H).
• 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

Propriétés chimiques et physiques

• Solubilité: Soluble in acetone, DMSO, methanol, and water (partly).
• Indice de réfraction: n20D1.47 (Predicted) (unlabeled)
• Point de fusion (°C): 112-114° C
• Poids moléculaire: 254.400 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 254.073 Da
• Monoisotopic Mass: 254.073 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 293.000
• Isotope Atom Count: 8
• Defined Atom Stereocenter Count: 0
• 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

Références

1. Jinxingyi Wang, Ruyu Tao, Hanshuai Hu, Xue Lan, Jiejie Gao, Yanping Guan, Qian Liu.  (2025)  Therapeutic drug monitoring of busulfan and cyclophosphamide in hematologic malignancies: An LC-MS/MS development, validation and application.  JOURNAL OF PHARMACOLOGICAL AND TOXICOLOGICAL METHODS,      [PMID:40759333] [10.1016/j.vascn.2025.108389]

Foire aux questions

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 116653-28-2, the molecular formula is C6H6D8O6S2, and the molecular weight is 254.35 g/mol. InChIKey COVZYZSDYWQREU-SQUIKQQTSA-N.

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.