조루비신
Zorubicin
기본 정보
- CAS
54083-22-6- 표준 SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=NNC(=O)c1ccccc1)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1- InChIKey
FBTUMDXHSRTGRV-BJISBDEGSA-N- 분자식
- C34H35N3O10
- 평균 분자량
- 645.7 g/mol
- 단동위원소 질량
- 645.23224432
개요
Zorubicin is a drug of the anthracycline class - a class of medications that have historically demonstrated effective chemotherapy for a variety of cancer types.
이름 및 식별자
- 우선 이름
- Zorubicin
- IUPAC
- N-[1-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]benzamide
- 현지명
- 조루비신
- 영어명
- Zorubicin
- 분자식
- C34H35N3O10
- 분자량
- 645.66
이름 및 동의어
ZORUBICINzorubicineZorubicinaZorubicinum54083-22-6V25F9362OPDaunomycin benzoylhydrazoneBenzoylhydrazone daunorubicinRubidazonDTXSID4043852Benzoic acid hydrazide, 3-hydrazone with daunorubicinRP 22,050
이름 더 보기
조루비신RubidazoneCcris 2260Brn 1417621Zorubicin [inn]Rubidazone|||Rubidazone|||RubidazonN-[1-[(2S,4S)-4-(4-Amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]benzamide
RP-22050N-[1-[(2S,4S)-4-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]benzamideN-(1-((2S,4S)-4-((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl)ethylideneamino)benzamideRefChem:196255DTXCID00820563L01DB05benzoic acid hydrazide 3-hydrazone with daunorubicin(2S-cis)-Benzoic Acid(1-(4-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl)ethylidene)hydrazide
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 210 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,230
실험 및 물리화학적 성질
LogP0.76
물리화학적 성질
- 끓는 점
- 675.08 °C · 675.08°C (rough estimate)
- 밀도
- 1.292 · 1.2920 (rough estimate)
- 굴절률
- 1.78 · 1.7800 (estimate)
- 산도 계수 (pKa)
- 7.357 · 7.357±0.60(predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory Information
Benzoic acid, 1-(2S,4S)-4-(3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenylethylidenehydrazide: 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.
화학 및 산업
약리 정보
ATC Code
L - Antineoplastic and immunomodulating agents
QL - Antineoplastic and immunomodulating agents
MeSH Pharmacological ClassificationChemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms.
응용 분야
용도Antineoplastic.
상·하류 제품 정보
상류 원료
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…