Butirosin B
Grundinformationen
- CAS
34291-03-7- Standard-SMILES
NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@H]1O- InChIKey
XEQLFNPSYWZPOW-HBYCGHPUSA-N- Summenformel
- C21H41N5O12
- Durchschnittliche Molmasse
- 555,6 g/mol
- Monoisotopische Masse
- 555,27517176
Überblick
Butirosin B is a butirosin that consists of neamine in which is substituted at position 2 by a beta-D-ribofuranosyl and at position 4 by an (S)-2-hydroxy-4-aminobutyryl group. It has a role as an antimicrobial agent. It is functionally related to a neamine. It is a conjugate base of a butirosin B(4+).
Namen und Bezeichner
- Bevorzugter Name
- Butirosin B
- IUPAC
- (2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide
- Englischer Name
- butirosin B
- Summenformel
- C21H41N5O12
- Molmasse
- 555.57654
Namen und Synonyme
Butirosin BAmbutyrosin BButyrosin B34291-03-7BC4D059GIGCHEBI:65110DTXSID501336431(2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxy-3-(beta-D-ribofuranosyloxy)cyclohexyl]-2-hydroxybutanamide(2S)-4-amino-N-((1R,2S,3R,4R,5S)-5-amino-4-((2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)oxy)-2-hydroxy-3-(beta-D-ribofuranosyloxy)cyclohexyl)-2-hydroxybutanamideRefChem:122162DTXCID501766630(2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-hydroxycyclohexyl]-2-hydroxybutanamide
Weitere Namen anzeigen
Amikacin impurity 25N1-[(S)-4-Amino-2-hydroxy-1-oxobutyl]-4-O-(2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl)-5-O-(β-D-ribofuranosyl)-2-deoxy-D-streptamine
UNII-BC4D059GIGBUTIROSIN B [MI]SCHEMBL2245015CHEMBL3301870C17586Q27133658D-STREPTAMINE, O-2,6-DIAMINO-2,6-DIDEOXY-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-O-(.BETA.-D-RIBOFURANOSYL-(1->5))-N1-((2S)-4-AMINO-2-HYDROXY-1-OXOBUTYL)-2-DEOXY-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -7,3
- Polarare Oberfläche (TPSA)
- 312 Ų
- H-Brücken-Donoren
- 12
- H-Brücken-Akzeptoren
- 16
- Frei drehbare Bindungen
- 10
- Schwere Atome
- 38
- Formalladung
- 0
- Komplexität
- 772
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Antibiotics
Physikochemische Eigenschaften
- pka
- 5.3 · pKa (water): 5.3, 7.1, 8.6, 9.8(at 25℃)
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
Anbieter4 Anbieter
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Ergänzende Hinweise
DefinitionChEBI: A butirosin that consists of neamine in which is substituted at position 2 by a beta-D-ribofuranosyl and at position 4 by an (S)-2-hydroxy-4-aminobutyryl group.
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