Butirosin Disulfate
[CAS# 51022-98-1]

Identification

• Name: Butirosin Disulfate
• Synonyms: 4-Amino-N-[(1R,2S,3R,4R,5S)-5-Amino-4-[(2R,3R,4R,5S,6R)-3-Amino-6-(Aminomethyl)-4,5-Dihydroxy-Tetrahydropyran-2-Yl]Oxy-3-[(2S,3R,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Oxy-2-Hydroxy-Cyclohexyl]-2-Hydroxy-Butanamide; Sulfuric Acid; Dihydrate; 4-Amino-N-[(1R,2S,3R,4R,5S)-5-Amino-4-[[(2R,3R,4R,5S,6R)-3-Amino-6-(Aminomethyl)-4,5-Dihydroxy-2-Tetrahydropyranyl]Oxy]-3-[[(2S,3R,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]Oxy]-2-Hydroxycyclohexyl]-2-Hydroxybutanamide; Sulfuric Acid; Dihydrate
• Molecular Formula: C₂₁H₄₉N₅O₂₂S₂
• Molecular Weight: 787.76
• CAS Registry Number: 51022-98-1
• SMILES: [C@H]3(O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1N)CN)[C@H](O[C@@H]2O[C@@H](C(O)[C@H]2O)CO)[C@@H](O)[C@H](NC(=O)C(O)CCN)C[C@@H]3N.O=[S](O)(O)=O.O=[S](O)(O)=O.O.O
• InChI: 1S/C21H41N5O12.2H2O4S.2H2O/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21;2*1-5(2,3)4;;/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34);2*(H2,1,2,3,4);2*1H2/t6-,7+,8?,9+,10+,11+,12-,13+,14?,15+,16+,17+,18+,20+,21-;;;;/m0..../s1
• InChIKey: IUQWHBUMCWSQIM-OXNIXSIASA-N

Properties

• Boiling point: 947.4°C at 760 mmHg (Cal.)
• Flash point: 526.8°C (Cal.)