Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Epirubicin Hydrochloride
Ebewe · Adrial · CS-1396 · Ellence · Epirubin HCI · Epirubicin Ebewe · Farmorubicin-RTU · (8s-cis)-rochlorid
식별자 및 물리적 특성
| CAS No. | 56390-09-1 |
|---|---|
| 분자식 | C27H30ClNO11 |
| 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-FGBSZODSSA-N |
| PubChem CID | 65348 |
| ChEMBL | CHEMBL1200981 |
| ChEBI | CHEBI:232543 |
| EC No. | 260-145-2 |
| DTXSID | DTXSID50860297 |
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 |
| Human Drugs | Breast FeedingLactationMilk, HumanAntineoplastic AgentsAnthracyclinesAntibiotics, AntineoplasticTopoisomerase II InhibitorsFDA approved drugs -> Active ingredient |
| Collision Cross Section | 225.2 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| 녹는점 | 185°C dec. |
| 인화점 | 443.8℃ |
| 저장 조건 | Inert atmosphere,Store in freezer, under -20°C |
| 용해도 | DMSO에서 100mM까지 용해되거나 에탄올에서 10mM까지 용해됩니다. |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | 11.33 (pKa₃)(Temp: 25 °CSolvent: Sodium chloride 0.9) |
| 색상 | 빨간색에서 진한 빨간색까지 |
| 안정성 | 제공된 대로 구매일로부터 2년 동안 안정적입니다. DMSO 또는 증류수 용액은 -20°에서 최대 3개월 동안 보관할 수 있습니다. |
| InChIKey | MWWSFMDVAYGXBV-UAOJCOQHSA-N |
| SMILES | C12=C(O)C3=C(C(=O)C4=C(C3=O)C=CC=C4OC)C(O)=C1[C@@]([H])(O[C@H]1O[C@@H](C)[C@H](O)[C@@H](N)C1)C[C@](O)(C(=O)CO)C2.Cl |
화학적 성질
Orange-Red Crystalline Solid
안전 및 규제
| GHS 분류 | DangerH302 (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. |
|---|---|
| 규제 정보 | 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 Categories | Acute Tox. 4 (99.2%) |
| Drug Induced Liver Injury | Drug Induced Liver Injury Rank (DILIrank 2.0)Epirubicin hydrochlorideAmbiguous-DILI-concern3Warnings & precautionsDOI:10.1016/j.drudis.2016.02.015 |
| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
| 수질 위해 등급(WGK) | 3 |
| 관세 코드 | 29419090 |
| 위험 문구(R) | 22-63-62-46-40 |
| 위험 표시 | Xn |
| 안전 문구(S) | 36/37/38-45-46 |
| 위험 등급 | Acute Tox. 4 OralCarc. 1BMuta. 1BRepr. 1B |
| 저장 분류 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
용도
개요
Epirubicin hydrochloride is an antitumor antibiotic which is epimeric with doxorubicin a t the 4’-position of the amino sugar moiety. It has shown utility in the treatment of mammary, gastric, colorectal, pulmonary and ovarian carcinomas, as well as malignant lymphoma and melanoma and soft tissue sarcoma. It is reported to be less sardiotoxic than doxorubicin.
용도
Used as an antineoplastic