독소루비신 수화염화물
독소루비신수화염화물 · 독소루비신수화염화물(DOXORUBICINHYDROCHLORIDE) · DOX · DOXORUBICIN HCL · ADR · Doxorubicin HCI · DOX HCl · CAELYX
식별자 및 물리적 특성
| CAS No. | 25316-40-9 |
|---|---|
| 분자식 | C27H29NO11.ClH |
| 평균 분자량 | 580 g/mol |
| 단동위원소 질량 | 579.15073846 g/mol |
| 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-RUELKSSGSA-N |
| PubChem CID | 443939 |
| ChEMBL | CHEMBL359744 |
| ChEBI | CHEBI:31522 |
| EC No. | 246-818-3 |
| DTXSID | DTXSID3030636 |
| 현지명 | 독소루비신 수화염화물 |
화학 및 물리적 성질
| 극성 표면적 | 206 |
|---|---|
| 수소 결합 공여자 수 | 7 |
| 수소 결합 수용자 수 | 12 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 40 |
| 형식 전하 | 0 |
| 복잡도 | 977 |
| 용해도 | Soluble (NTP, 1992)100 mg/ml에서 DMSO에 용해됨에탄올에 매우 잘 녹지 않음약간의 따뜻함과 함께 10mg/ml의 물에 용해됩니다. |
| Human Drugs | Breast FeedingLactationMilk, HumanAntineoplastic AgentsAnthracyclinesAntibiotics, AntineoplasticTopoisomerase II InhibitorsFDA approved drugs -> Active ingredientEMA approved medicines: Human medicine |
| 녹는점 | 399 to 401 °F (Decomposes) (NTP, 1992)216 °C (dec.)(lit.) |
| Physical Description | Adriamycin hydrochloride appears as orange-red thin needles. Aqueous solutions yellow-orange at acid pHs, orange-red at neutral pHs, and violet blue over pH 9. (NTP, 1992) |
| 저장 조건 | 2-8°C |
| pKa(산도 계수) | pKa 8.25±0.60 (Uncertain)8.43±0.70 (Uncertain)11.9±0.4 (Uncertain)12.95±0.1 (Uncertain)13.8±0.70 (Uncertain) |
| 물리적 상태 | 고체 |
| 색상 | 주황색에서 진한 빨간색까지 |
| 생물학적 소스 | synthetic (organic) |
| 용해도 | 물에 용해됩니다. |
| Merck | 14,3439 |
| BRN | 4229251 |
| 안정성 | 제공된 대로 구매일로부터 1년 동안 안정적입니다. 증류수 용액은 -20°에서 최대 3개월 동안 보관할 수 있습니다. |
| InChIKey | MWWSFMDVAYGXBV-RUELKSSGSA-N |
| SMILES | Cl[H].COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |
| EPA | Doxorubicin hydrochloride (25316-40-9) |
화학적 성질
Doxorubicin is an orange to red cake-like or needle-like crystalline solid. It is a cytotoxic anthracycline antibiotic isolated from cultures of Streptomyces peucetius var. caesius. Doxorubicin hydrochloride is an orange-red, crystalline, hygroscopic powder that is soluble in water and slightly soluble in methanol.
안전 및 규제
| GHS 분류 | DangerH302 (77.8%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P318, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 158 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Hazard Traits - CarcinogenicityDevelopmental ToxicityReproductive ToxicityAdriamycin hydrochloride: Does not have an individual approval but may be used under an appropriate group standard |
| 화재 위험 | This compound is probably combustible. (NTP, 1992) |
| 반응성 그룹 | Amines, Phosphines, and Pyridines |
| Reactivity Profile | Amines, like adriamycin hydrochloride, are weak chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides. |
| Air and Water Reactions | Water soluble. |
| Hazard Classes and Categories | Acute Tox. 4 (77.8%) |
| 소화 | Fires involving this material can be controlled with a dry chemical carbon dioxide, foam or Halon extinguisher. (NTP, 1992) |
| 응급 처치 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| Personal Protective Equipment (PPE) | MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves. |
용도
용도
Doxorubicin hydrochloride (adriamycin hydrochloride) is an antitumour agent that has been formulated as a salt to achieve higher water solubility. While the salt shares the same pharmacological properties as doxorubicin free base, its greater water solubility may offer advantages in some in vitro applications. Physicochemical properties and chromatographic behaviour will depend on whether the pH is buffered. In non-pH controlled systems the free base and salt may behave differently.
일반 설명
Adriamycin hydrochloride appears as orange-red thin needles. Aqueous solutions yellow-orange at acid pHs, orange-red at neutral pHs, and violet blue over pH 9. Doxorubicin is available as both the conventional dosageform and a liposomal preparation, both of which are administeredby infusion. Doxorubicin HCl powder is available in10-, 20-, 50-, and 150-mg vials and is widely used in treatingvarious cancers, including leukemias, soft and bone tissuesarcomas, Wilms tumor, neuroblastoma, small cell lungcancer, and ovarian and testicular cancer.