Erythromycinthiocyanat

Erythromycin Thiocyanate

HCID 83938CAS 7704-67-8

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Grundinformationen

Standard-SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O.N#CS
InChIKey: WVRRTEYLDPNZHR-YZPBMOCRSA-N
Summenformel: C38H68N2O13S
Durchschnittliche Molmasse: 793 g/mol
Monoisotopische Masse: 792,44421124

Namen und Bezeichner

Bevorzugter Name: Erythromycin Thiocyanate
IUPAC: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;thiocyanic acid
Lokaler Name: Erythromycinthiocyanat
Englischer Name: Erythromycin thiocyanate
Summenformel: C38H68N2O13S
Molmasse: 793.02

Namen und Synonyme

Erythromycin thiocyanate7704-67-8Erythromycin, thiocyanate (salt)ERYTROVETY7A95YRI88BACTENIX V 300DTXSID50858755Gallimycin-100PRefChem:55130DTXCID70809486231-723-1Erythromycin (thiocyanate)

Weitere Namen anzeigen

ERYTHROMYCIN THIOCYNATEERTHROMYCIN THIOCYANATEthiocyaniERYTHROMYCIN THIOINATEErythromycin thiocyateErythromycin ThiocyanatErythroMicyn thiocyanateErythroMycin Thiocyanate CGMPERYTHROMYCIN THIOCYANATE CP2000

MFCD00072026(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione;thiocyanic acidUNII-Y7A95YRI88C38H68N2O13SBactenix V 300; Erythrocin Thiocyanate; Erytrovet; Gallimycin 10; Gallimycin 50 Pro-Gallimycin 10;EINECS 231-723-1EC 231-723-1orb1709736

Datenbank-Bezeichner

CAS: 7704-67-8
PubChem CID: 83938
DTXSID: DTXSID50858755
UNII: Y7A95YRI88
EC Number: 231-723-1

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 219 Å²
H-Brücken-Donoren: 6
H-Brücken-Akzeptoren: 16
Frei drehbare Bindungen: 7
Schwere Atome: 54
Formalladung: 0
Komplexität: 1.210

Experimentelle und physikochemische Eigenschaften

Animal DrugsActive Ingredients (Erythromycin Thiocyanate) -> FDA Greenbook

Physikochemische Eigenschaften

Schmelzpunkt: 166 · 166-167 °C
storage temp.: -20 °C, · Store at -20°C, away from moisture
Löslichkeit: 100 mg/mL · DMSO : 100 mg/mL (126.10 mM; Need ultrasonic)
Aggregatzustand: Crystalline
Farbe: White to off-white
Stabilität: Hygroscopic
InChIKey: WVRRTEYLDPNZHR-JKARSCBVNA-N
CAS Datenbank: 7704 · 7704-67-8

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 1.9% (1 of 52) of reports.

Warning

H319 (94.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 3 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 16-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/11081

Erythromycin thiocyanate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationIMAP assessments - Erythromycin, thiocyanate (salt): Environment tier I assessment

Hazard Classes and CategoriesEye Irrit. 2 (94.2%)