Expectorant
[CAS# 92413-99-5]

Identification

• Name: Expectorant
• Synonyms: Sodium (2S,4S,5R,6R)-5-Acetamido-2,4-Dihydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Carboxylic Acid; Sodium (2S,4S,5R,6R)-5-Acetamido-2,4-Dihydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]-2-Tetrahydropyrancarboxylic Acid; 5-(Acetylamino)-3,5-Dideo
• Molecular Formula: C₁₁H₁₉NNaO₉
• Molecular Weight: 332.26
• CAS Registry Number: 92413-99-5
• SMILES: [C@H]1(O[C@@](O)(C[C@H](O)[C@H]1NC(=O)C)C(=O)O)[C@H](O)[C@H](O)CO.[Na+]
• InChI: 1S/C11H19NO9.Na/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13;/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19);/q;+1/t5-,6+,7+,8+,9+,11-;/m0./s1
• InChIKey: QKFTYFYIYXTFBX-BKSOAOGQSA-N

Properties

• Boiling point: 805°C at 760 mmHg (Cal.)
• Flash point: 440.7°C (Cal.)