Grundinformationen
- Standard-SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1.Cl- InChIKey
MWWSFMDVAYGXBV-FGBSZODSSA-N- Summenformel
- C27H30ClNO11
- Durchschnittliche Molmasse
- 580 g/mol
- Monoisotopische Masse
- 579,15073846
Überblick
Epirubicin hydrochloride is an anthracycline. It has a role as an antineoplastic agent.
Namen und Bezeichner
- Bevorzugter Name
- Epirubicin Hydrochloride
- IUPAC
- (7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Namen und Synonyme
Epirubicin hydrochloride56390-09-1Epirubicin HClFarmorubicinaIMI-28NSC-759195WP-69722966TX7J5DTXSID508602975,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S-cis)-Pharmorubicin PfsRefChem:55118
Weitere Namen anzeigen
Hydrochloride, EpirubicinIMI28DTXCID001475450(2S,4S)-4-(3-Amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranosyloxy)-2,5,12-trihydroxy-2-hydroxyacetyl-7-methoxy-1,2,3,4-tetrahydrotetracene-6,11-dione monohydrochloride(8S-cis)-10-((3-Amino-2,3,6-trideoxy-beta-L-arabino-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione Hydrochloride3-Glycoloyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl-3-amino-2,3,6-trideoxy-alpha-L-arabino-hexopyranoside HydrochlorideEllenceMFCD00941448
Datenbank-Bezeichner
- CAS
56390-09-1- PubChem CID
- 65348
- DTXSID
DTXSID50860297- ChEMBL
CHEMBL1200981- ChEBI
CHEBI:232543- UNII
- 22966TX7J5
- EC Number
- 260-145-2
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 206 Ų
- H-Brücken-Donoren
- 7
- H-Brücken-Akzeptoren
- 12
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 40
- Formalladung
- 0
- Komplexität
- 977
Experimentelle und physikochemische Eigenschaften
Human Drugs
Breast Feeding; Lactation; Milk, Human; Antineoplastic Agents; Anthracyclines; Antibiotics, Antineoplastic; Topoisomerase II Inhibitors
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Collision Cross Section225.2 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (99.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 130 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
5,12-Naphthacenedione, 10-(3-amino-2,3,6-trideoxy-.alpha.-L-arabino-hexopyranosyl)oxy-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S,10S)-: 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.
Hazard Classes and CategoriesAcute Tox. 4 (99.2%)
Toxikologische Informationen
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Epirubicin hydrochloride
Ambiguous-DILI-concern
3
Warnings & precautions
DOI:10.1016/j.drudis.2016.02.015
Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Chemie und Industrie
Pharmakologische Informationen
FDA Pharmacological Classification
EPIRUBICIN HYDROCHLORIDE
Anthracycline Topoisomerase Inhibitor [EPC]; Topoisomerase Inhibitors [MoA]; Anthracyclines [CS]
MeSH Pharmacological Classification
Chemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms.
Compounds that inhibit the activity of DNA TOPOISOMERASE II. Included in this category are a variety of ANTINEOPLASTIC AGENTS which target the eukaryotic form of topoisomerase II and ANTIBACTERIAL AGENTS which target the prokaryotic form of topoisomerase II.
Zugehörige Reaktionen
2
Verknüpfte Notizen
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