HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 3950Erstellt: 3. November 2026
1-(2-Chlorethyl)-3-cyclohexyl-1-nitrosoharnstoff
Lomustin · cinu · CCNU · ceenu · rb1509 · cecenu · sri2200 · nsc79037
https://huagongshe.com/de/chemical/3950
Identifikatoren & physikalische Daten
| CAS No. | 13010-47-4 |
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| Summenformel | C9H16ClN3O2 |
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| Durchschnittliche Molmasse | 233,69 g/mol |
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| Monoisotopische Masse | 233,0931045 g/mol |
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| SMILES | O=NN(CCCl)C(=O)NC1CCCCC1 |
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| InChIKey | GQYIWUVLTXOXAJ-UHFFFAOYSA-N |
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| PubChem CID | 3950 |
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| ChEMBL | CHEMBL2062293 |
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| ChEBI | CHEBI:6520 |
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| EC No. | 235-859-2 |
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| DTXSID | DTXSID2023222 |
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| Lokaler Name | 1-(2-Chlorethyl)-3-cyclohexyl-1-nitrosoharnstoff |
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Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
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| Polarare Oberfläche (TPSA) | 61,8 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 219 |
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| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
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| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
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| LogP (Verteilungskoeffizient) | log Kow = 2.83 |
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| Color/Form | SolidYellow powder |
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| Löslichkeit | Soluble in ethanolFreely soluble in chloroformsoluble in acetone.Solubility in water, 0.1N NaOH, 0.1N HCl, or 10% ethanol: <0.05 mg/mLin absolute ethanol: 70 mg/mL7.55e-01 g/LPractically insoluble in water, freely soluble in acetone and in methylene chloride, soluble in ethanol (96 per cent). |
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| Human Drugs | FDA approved drugs -> Active ingredient |
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| Decomposition | Hazardous decomposition products formed under fire conditions: Carbon oxides, nitrogen oxides (NOx), hydrogen chloride gas. |
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| Schmelzpunkt | 88-90 °C88 - 90 °C |
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| Physical Description | Solid |
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| Siedepunkt | 63.6°C (rough estimate) |
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| Dichte | 1.3840 (rough estimate) |
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| Brechungsindex | 1.5790 (estimate) |
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| Lagerbedingungen | 2-8°C |
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| pKa (Säurekonstante) | 10.88±0.20(Predicted) |
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| Aggregatzustand | Solid |
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| Farbe | Light orange to Yellow to Green |
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| Merck | 14,5564 |
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| Henry-Konstante | 5.5×104 mol/(m3Pa) at 25℃, HSDB (2015) |
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| InChI | InChI=1S/C9H16ClN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14) |
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| InChIKey | GQYIWUVLTXOXAJ-UHFFFAOYSA-N |
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| SMILES | N(CCCl)(N=O)C(NC1CCCCC1)=O |
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| CAS Datenbank | 13010-47-4(CAS DataBase Reference) |
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| EPA chemische Informationen | 1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea (13010-47-4) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH228 (34.4%): Flammable solid [Danger Flammable solids]P203, P210, P234, P235, P240, P241, P260, P264, P270, P280, P301+P316, P308+P316, P318, P319, P321, P330, P370+P378, P403, P405, P410, P411, P420, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 64 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H301: Toxic if swallowed [Danger Acute toxicity, oral] |
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| Regulatorische Informationen | Hazard Traits - CarcinogenicityDevelopmental Toxicity |
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| Weitere Sicherheitsinformationen | IMAP assessments - Urea, N-(2-chloroethyl)-N'-cyclohexyl-N-nitroso-: Environment tier I assessment |
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| FDA-Anforderungen | The Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed prescription drug products, incl lomustine, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act. |
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| Special Reports | National Toxicology Program. Eleventh Report on Carcinogens (2005). The Report on Carcinogens is an informational scientific and public health document that identifies and discusses substances (including agents, mixtures, or exposure circumstances) that may pose a carcinogenic hazard to human health. 1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea (13010-47-4) is listed as reasonably anticipated to be a human carcinogen. First listed in the Fourth Annual Report on Carcinogens (1985) as reasonably anticipated to be a human carcinogen.[Available from, as of July 31, 2009: http://ntp.niehs.nih.gov/ntp/roc/eleventh/profiles/s035ccnu.pdf] |
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| Toxic Combustion Products | Hazardous decomposition products formed under fire conditions: Carbon oxides, nitrogen oxides (NOx), hydrogen chloride gas. |
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| Hazard Classes and Categories | Flam. Sol. 1 (34.4%)Acute toxicity (Oral) - Category 3 |
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| Shipment Methods and Regulations | /PRECAUTIONS FOR ANTINEOPLASTIC AGENTS:/ Methods for transporting hazardous drugs to the health-care setting should be consistent with environmental protection and national or local regulations for transporting hazardous substances. When hazardous drugs are being transported to the home-care setting, appropriate containers (eg, lined cardboard boxes) and procedures should be used to prevent breakage and contain leakage. ... The drugs must be securely capped or sealed and properly packaged and protected during transport to reduce further the chance of breakage and spillage in a public area such as a corridor or elevator. /Antineoplastic agents/ |
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Anwendungen & Verwendung
Verwenden
CCNU is an oral anticancer drug that was approved by the U.S. Food and Drug Administration in 1976 for marketing, as lomustine (FDA 2009a). CCNU is used alone or in combination with other antineoplastic agents, including procarbazine and vincristine, etoposide and prednimustine, and other combinations (IARC 1981, HSDB 2009). It is used primarily in the treatment of Hodgkin’s disease and brain tumors, but it has also been used to treat other cancer, includ-ing lung cancer, non-Hodgkin’s lymphoma, malignant melanoma, breast cancer, kidney cancer, and cancer of the gastrointestinal tract (MedlinePlus 2009). It has also been applied to the skin to treat mycosis fungoides and psoriasis.