Grundinformationen
- Standard-SMILES
CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O.Cl.Cl- InChIKey
FOGDPGQSHLLYIK-XYQGXRRISA-N- Summenformel
- C14H26Cl2N2O7
- Durchschnittliche Molmasse
- 405,3 g/mol
- Monoisotopische Masse
- 404,11170653
Überblick
Spectinomycin dihydrochloride is a hydrochloride obtained by combining spectinomycin with two molar equivalents of hydrochloric acid. An antibiotic that is active against gram-negative bacteria and used (as its pentahydrate) to treat gonorrhea. It has a role as an antimicrobial agent and an antibacterial drug. It contains a spectinomycin(2+).
Namen und Bezeichner
- Bevorzugter Name
- Spectinomycin Dihydrochloride
- IUPAC
- (1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one;dihydrochloride
- Lokaler Name
- Spectinomycindihydrochlorid
- Englischer Name
- Spectinomycin dihydrochloride
- Summenformel
- C14H24N2O7.2ClH
- Molmasse
- 405.27
Namen und Synonyme
Spectinomycin dihydrochloride21736-83-4Spectinomycin hydrochloride anhydrousDTXSID9045429CHEBI:9216DTXCID7025429296JEI210ZNSC-248616RefChem:1098908244-554-3(1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one;dihydrochloride(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-benzo[b]pyrano[2,3-e][1,4]dioxin-4-one dihydrochloride
Weitere Namen anzeigen
SPECTINOMYCIN HYDROCHLORIDEGentamicin hydrochlorideM 141staniloU-18409AENSC 248616SpectacomycinSPECTINOMYCIN 2HCLSPECTINOMYCIN DIHYDROCSpectinomycin (50mg/ml)
4H-Pyrano[2,3-b][1,4]benzodioxin-4-one,decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-,dihydrochloride, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-Spectinomycin diHClSpectinomycin (hydrochloride hydrate)C14H26CL2N2O7SR-05000001868Prestwick_106Spectinomycin (dihydrochloride pentahydrate)NCGC00016754-01
Datenbank-Bezeichner
- CAS
21736-83-4- PubChem CID
- 64740
- DTXSID
DTXSID9045429- ChEMBL
CHEMBL3184600- ChEBI
CHEBI:9216- UNII
- 296JEI210Z
- EC Number
- 244-554-3
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 130 Ų
- H-Brücken-Donoren
- 7
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 478
Experimentelle und physikochemische Eigenschaften
Collision Cross Section174.3 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physikochemische Eigenschaften
- Schmelzpunkt
- 194 °C · 194°C
- storage temp.
- 2 · Inert atmosphere,2-8°C
- Löslichkeit
- 2 O: · H2O: 50 mg/mL, clear, faintly yellow
- Aggregatzustand
- powder
- Farbe
- White to Off-White
- InChIKey
- BIPVCOUVVAMJMZ-CEDDKZKHNA-N
- SMILES
- N([C@H]1[C@H]([C@@H](NC)[C@H](O)[C@@]2([H])O[C@]3([H])O[C@H](C)CC(=O)[C@]3(O)O[C@]12[H])O)C.Cl |&1:1,2,3,6,8,11,14,19,22,r|
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 1.7% (1 of 59) of reports.
Danger
H317 (94.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 59 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Other Safety Information
IMAP assessments - 4H-Pyrano[2,3-b][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, dihydrochloride, [2R-(2.alpha.,4a.beta.,5a.beta.,6.beta.,7.beta.,8.beta.,9.alpha.,9a.alpha.,10a.beta.)]-: Environment tier I assessment
Hazard Classes and CategoriesSkin Sens. 1 (94.9%)
Sicherheitsdaten
- F
- 10
- wgk
- 2
- RTECS-Nr.
- WG7400000
- Toxizität
- monkey,LD50,oral,500mg/kg (500mg/kg),Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 7, Pg. 100, 1965.
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Anwendungen
VerwendenSPECTINOMYCIN DIHYDROCHLORIDE is an antibiotic used in the treatment and control of infectious bacterial enteritis in animals. Used in drug testing against nonreplicating mycobacterium tuberculosis.
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Ergänzende Hinweise
DefinitionSPECTINOMYCIN DIHYDROCHLORIDE is a hydrochloride obtained by combining spectinomycin with two molar equivalents of hydrochloric acid. An antibiotic that is active against gram-negative bacteria and used (as its pentahydrate) to treat gonorrhea.
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