Ditiomustine
[CAS# 82599-22-2]

Identification

• Classification: API >> Antineoplastic agents >> Alkylating agent
• Name: Ditiomustine
• Synonyms: 1-(2-Chloroethyl)-3-[2-[2-[(2-Chloroethyl-Nitroso-Carbamoyl)Amino]Ethyldisulfanyl]Ethyl]-1-Nitroso-Urea; 1-(2-Chloroethyl)-3-[2-[2-[[(2-Chloroethyl-Nitrosoamino)-Oxomethyl]Amino]Ethyldisulfanyl]Ethyl]-1-Nitrosourea; N,N'-Bis((2-Chloroethyl)-N-Nitrosocarbamoyl)Cystamine
• Molecular Formula: C₁₀H₁₈Cl₂N₆O₄S₂
• Molecular Weight: 421.32
• CAS Registry Number: 82599-22-2
• SMILES: C(N(N=O)C(=O)NCCSSCCNC(=O)N(N=O)CCCl)CCl
• InChI: 1S/C10H18Cl2N6O4S2/c11-1-5-17(15-21)9(19)13-3-7-23-24-8-4-14-10(20)18(16-22)6-2-12/h1-8H2,(H,13,19)(H,14,20)
• InChIKey: XWPCYYOZOJKYKQ-UHFFFAOYSA-N

Properties

• Density: 1.556g/cm³ (Cal.)