독소루비신 수화염화물
Doxorubicin Hydrochloride
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기본 정보
- CAS
25316-40-9- 표준 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- 분자식
- C27H29NO11.ClH
- 평균 분자량
- 580 g/mol
- 단동위원소 질량
- 579.15073846
개요
Doxorubicin Hydrochloride (Adriamycin) can cause cancer according to an independent committee of scientific and health experts. It can cause developmental toxicity and male reproductive toxicity according to state or federal government labeling requirements.
이름 및 식별자
- 우선 이름
- Doxorubicin Hydrochloride
- IUPAC
- (7S,9S)-7-[(2R,4S,5S,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
- 현지명
- 독소루비신 수화염화물
- 영어명
- Doxorubicin hydrochloride
- 분자식
- C27H29NO11.ClH
- 분자량
- 579.98
이름 및 동의어
Doxorubicin Hydrochloride25316-40-9Doxorubicin HClADRIAMYCIN HYDROCHLORIDEAdriacinAdriamycin PFSAdriamycin RDFADRIAMYCIN, HYDROCHLORIDEAdriablastina csDTXSID3030636doxorubicin.HClDoxorubicini hydrochloridum
이름 더 보기
독소루비신수화염화물독소루비신수화염화물(DOXORUBICINHYDROCHLORIDE)DOXADRDoxorubicin HCIDOX HClCAELYXDOX HYDROCHLORIDEDoxorubicin hydrochlorid(8s-cis)-10-[(3-amino-2,3,6-trideoxy-alpha-l-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxynaphthacene-5,12-dione hydrochloride
hydroxydaunomycin hydrochloride82F2G7BL4EDoxorubicin citric acid saltDTXCID1010636Liposomal doxorubicin hydrochlorideDOXORUBICIN HYDROCHLORIDE LIPOSOME5,12-Naphthacenedione, 10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, hydrochloride, (8S,10S)-FI 106
물성
구조 계산 물성보충 중
- 극성 표면적
- 206 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 977
실험 및 물리화학적 성질
SolubilitySoluble (NTP, 1992)
Human Drugs
Breast Feeding; Lactation; Milk, Human; Antineoplastic Agents; Anthracyclines; Antibiotics, Antineoplastic; Topoisomerase II Inhibitors
FDA approved drugs -> Active ingredient
EMA approved medicines: Human medicine
EMA approved medicines: Human medicine
EMA approved medicines: Human medicine
FDA approved drugs -> Active ingredient
Melting Point399 to 401 °F (Decomposes) (NTP, 1992)
Physical DescriptionAdriamycin 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)
물리화학적 성질
- 녹는점
- 216 °C · 216 °C (dec.)(lit.)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 100 mg/ml에서 · 100 mg/ml에서 DMSO에 용해됨; 에탄올에 매우 잘 녹지 않음; 약간의 따뜻함과 함께 10mg/ml의 물에 용해됩니다.
- 산도 계수 (pKa)
- 8.25 · 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
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (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.
유해성 정보
Regulatory Information
Hazard Traits - Carcinogenicity; Developmental Toxicity; Reproductive Toxicity
Adriamycin hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Fire HazardsThis compound is probably combustible. (NTP, 1992)
Reactive GroupAmines, 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 ReactionsWater soluble.
Hazard Classes and CategoriesAcute Tox. 4 (77.8%)
안전 및 보호
Fire Fighting
화학 및 산업
약리 정보
FDA Pharmacological Classification
DOXORUBICIN HYDROCHLORIDE
Anthracycline Topoisomerase Inhibitor [EPC]; Anthracyclines [CS]; Topoisomerase Inhibitors [MoA]
DOXORUBICIN HYDROCHLORIDE LIPOSOME
Topoisomerase Inhibitors [MoA]; Anthracyclines [CS]; Anthracycline Topoisomerase Inhibitor [EPC]
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.
응용 분야
용도Doxorubicin 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 설명Adriamycin 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.
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