Etanidazole
Grundinformationen
- CAS
22668-01-5- Standard-SMILES
O=C(Cn1ccnc1[N+](=O)[O-])NCCO- InChIKey
WCDWBPCFGJXFJZ-UHFFFAOYSA-N- Summenformel
- C7H10N4O4
- Durchschnittliche Molmasse
- 214,18 g/mol
- Monoisotopische Masse
- 214,07020481
Überblick
Etanidazole is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2-nitro-1H-imidazol-1-yl)acetic acid with the amino group of ethanolamine. Used as a radiosensitising agent for hypoxic tumour cells. It has a role as a radiosensitizing agent, an alkylating agent, an antineoplastic agent and a prodrug. It is a member of imidazoles, a monocarboxylic acid amide and a C-nitro compound. It is functionally related to an ethanolamine.
Namen und Bezeichner
- Bevorzugter Name
- Etanidazole
- IUPAC
- N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide
- Englischer Name
- ETANIDAZOLE
- Summenformel
- C7H10N4O4
- Molmasse
- 214.18
Namen und Synonyme
etanidazole22668-01-5RadinylEtanidazolEtanidazolum1H-Imidazole-1-acetamide, N-(2-hydroxyethyl)-2-nitro-NSC-301467SR 2508SR-2508N-(2-hydroxyethyl)-2-(2-nitro-1H-imidazol-1-yl)acetamideN-(2-Hydroxyethyl)-2-nitro-1H-imidazole-1-acetamideNSC 301467
Weitere Namen anzeigen
SP-2508Etanidazole (SR-2508)N-(2-Hydroxyethyl)-1H-imidazole-1-acetamiden-(2-hydroxyethyl)-2-nitro-imidazole-1-acetamidn-(2-hydroxyethyl)-2-nitro-1h-imidazole-1-acetamidN-[2-HYDROXYETHYL]-2-NITRO-1H-IMIDAZOLE-1-ACETAMIDE
N-(2-Hydroxyethyl)-2-nitroimidazole-1-acetamide30DKA3Q1HLNSC301467N-(2-Hydroxyethyl)-1-(2-nitro-1-imidazolyl)acetamideCHEBI:75473SR2508RefChem:591350636-578-1
Datenbank-Bezeichner
- CAS
22668-01-5- PubChem CID
- 3276
- DTXSID
DTXSID8045434
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,3
- Polarare Oberfläche (TPSA)
- 113 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 242
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
LogP-1.32
Solubility
Water > 100 (mg/mL)
Methanol 60 (mg/mL)
Ethanol 30 (mg/mL)
Chloroform < 1 (mg/mL)
Stability/Shelf LifeBulk: The sample is stable at room temperature for at least one month (HPLC).
Solution: As a 10% solution in water, the chemical is stable for at least 24 hours (HPLC).
Physikochemische Eigenschaften
- Schmelzpunkt
- 162 · 162-163° (Beaman); mp 164.5-165° (Lee)
- Siedepunkt
- 354.3 °C · 354.3°C (rough estimate)
- Dichte
- 1.448 · 1.4480 (rough estimate)
- Brechungsindex
- 1.67 · 1.6700 (estimate)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Acetone (Slightly), Methanol (Slightly)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Toxikologische Informationen
Toxicity Data
Mouse(ip): LD50: 3300 mg/kg
Mouse(iv): LD50: 4400 mg/kg
Sicherheitsdaten
- wgk
- 3
- RTECS-Nr.
- NI3355000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Drugs used to potentiate the effectiveness of radiation therapy in destroying unwanted cells.
Anwendungen
VerwendenEtanidazole is a kind of hypoxic radiosensitizer (a drug that sensitizes tumour cells to radiation therapy). Etanidazole is used in conjunction with Paclitaxel (P132500) to treat glioma, and is also used with Carboplatin (C177500) to treat advanced ovarian cancer.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter24 Anbieter
艾吉析科技（上海）有限公司17717235263 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）
Zugehörige Reaktionen
2
Notizen zur Verbindung
Wird geladen…