Butirosin
[CAS# 12772-35-9]

Identification

• Classification: API >> Antibiotics >> Aminoglycoside
• Name: Butirosin
• Synonyms: (2R)-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-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Oxy-2-Hydroxy-Cyclohexyl]-2-Hydroxy-Butanamide; (2R)-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-[[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]Oxy]-2-Hydroxycyclohexyl]-2-Hydroxybutanamide; (2R)-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-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]Oxy-2-Hydroxy-Cyclohexyl]-2-Hydroxy-Butyramide
• Molecular Formula: C₂₁H₄₁N₅O₁₂
• Molecular Weight: 555.58
• CAS Registry Number: 12772-35-9
• SMILES: [C@H](C(N[C@H]2[C@@H]([C@H]([C@H](O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1N)CN)[C@H](C2)N)O[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)=O)(CCN)O
• InChI: 1S/C21H41N5O12/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/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8+,9+,10+,11+,12-,13+,14+,15+,16+,17+,18+,20+,21+/m0/s1
• InChIKey: XEQLFNPSYWZPOW-NUOYRARPSA-N

Properties

• Density: 1.587g/cm³ (Cal.)
• Boiling point: 947.397°C at 760 mmHg (Cal.)
• Flash point: 526.767°C (Cal.)