Ecomustine
[CAS# 98383-18-7]

Identification

• Classification: API >> Antineoplastic agents >> Alkylating agent
• Name: Ecomustine
• Synonyms: 1-(2-Chloroethyl)-3-[(2R,3S,6S)-3-Hydroxy-2-(Hydroxymethyl)-6-Methoxy-Tetrahydropyran-4-Yl]-1-Nitroso-Urea; 1-(2-Chloroethyl)-3-[(2R,3S,6S)-3-Hydroxy-2-(Hydroxymethyl)-6-Methoxy-4-Tetrahydropyranyl]-1-Nitrosourea; 1-(2-Chloroethyl)-3-[(2R,3S,6S)-3-Hydroxy-6
• Molecular Formula: C₁₀H₁₈ClN₃O₆
• Molecular Weight: 311.72
• CAS Registry Number: 98383-18-7
• SMILES: [C@@H]1(C(NC(N(CCCl)N=O)=O)C[C@H](O[C@@H]1CO)OC)O
• InChI: 1S/C10H18ClN3O6/c1-19-8-4-6(9(16)7(5-15)20-8)12-10(17)14(13-18)3-2-11/h6-9,15-16H,2-5H2,1H3,(H,12,17)/t6?,7-,8+,9+/m1/s1
• InChIKey: YQYBWJPESSJLTK-UXGQUHLOSA-N

Properties

• Density: 1.591g/cm³ (Cal.)