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(+)-Daunomycinone

HCID 83843
노트반응

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기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
21794-55-8
표준 SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O
InChIKey
YOFDHOWPGULAQF-MQJDWESPSA-N
분자식
C21H18O8
평균 분자량
398.4 g/mol
단동위원소 질량
398.10016753

이름 및 식별자

우선 이름
(+)-Daunomycinone
IUPAC
(7S,9S)-9-acetyl-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
영어명
DAUNOMYCINONE
분자식
C21H18O8
분자량
398.36

이름 및 동의어

Daunomycinone21794-55-8Daunorubicinone(+)-DaunomycinoneLeukaemomycinone C(7S,9S)-9-acetyl-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dioneFN5680X78XNSC-109351DTXSID50944400rubomycin aglyconeRefChem:585204DTXCID201776187
이름 더 보기
(8s,10s)-thoxyDanorubicinoneleukaemomycinonecdaunomycinagliconeDaunorubicinone CRSEpirubicin Impuritydaunorubicinaglycone
Daunomycin agliconeDaunomycinon(8S,10S)-8-Acetyl-6,8,10,11-tetrahydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dioneDaunomycin aglyconeNSC 109351(8S,10S)-8-Acetyl-7,8,9,10-tetrahydro-6,8,10,11-tetrahydroxy-1-methoxy- -5,12-naphthacenedione5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,10,11-tetrahydroxy-1-methoxy-, (8S,10S)-Epirubicin EP Impurity B

데이터베이스 식별자

CAS
21794-55-8
PubChem CID
83843
DTXSID
DTXSID50944400
ChEMBL
CHEMBL423953
ChEBI
CHEBI:204476
UNII
FN5680X78X
EC Number
680-667-8
Nikkaji
J16.581F

물성

구조 계산 물성보충 중

XLogP
2.2
극성 표면적
141 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
8
회전 가능 결합 수
2
무거운 원자 수
29
형식 전하
0
복잡도
721

물리화학적 성질

녹는점
208 · 208-210°C
끓는 점
677.4 · 677.4±55.0 °C(Predicted)
밀도
1.59 · 1.590±0.06 g/cm3(Predicted)
저장 조건
-20 °C · -20°C Freezer
용해도
클로로포름 (약간 용해됨), DMSO (약간 용해됨), 메탄올(매우 소량, 가열)
물리적 상태
Solid
산도 계수 (pKa)
7.48 · 7.48±0.60(Predicted)
색상
빨간색

화학적 성질

Red Solid

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral];H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal];H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (50%): Toxic if inhaled [Danger Acute toxicity, inhalation];H334 (50%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H340 (100%): May cause genetic defects [Danger Germ cell mutagenicity];H350 (50%): May cause cancer [Danger Carcinogenicity];H351 (50%): Suspected of causing cancer [Warning Carcinogenicity];H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]

P203, P233, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P361+P364, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 1건

5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,10,11-tetrahydroxy-1-methoxy-, (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

화학 및 산업

응용 분야

용도Daunomycinone is the main metabolite of Daunorubicin (D194500).

공급사58 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
欧利希(湖北)医药科技有限公司17316404525 17316404525 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
上海维亦特生物科技有限公司

관련 반응

5건
반응 기록 만들기
HRID 25915 반응식
HRID 25915반응물로uspto-grants-1979_04
HRID 596935 반응식
HRID 596935반응물로uspto-grants-1977_03
HRID 1448939 반응식
HRID 1448939반응물로uspto-grants-1980_02
HRID 1833994 반응식
HRID 1833994반응물로uspto-grants-1978_01
HRID 1834487 반응식
HRID 1834487반응물로uspto-grants-1978_01

화합물 노트

불러오는 중…

이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
Acute Tox. 3 (100%);Acute Tox. 3 (50%);Skin Irrit. 2 (50%);Skin Sens. 1 (50%);Eye Irrit. 2 (50%);Acute Tox. 3 (50%);Resp. Sens. 1 (50%);STOT SE 3 (50%);Muta. 1B (100%);Carc. 1B (50%);Carc. 2 (50%);Repr. 1B (100%)

규제 정보

Regulatory Information · 1건

5,12-Naphthacenedione, 8-acetyl-7,8,9,10-tetrahydro-6,8,10,11-tetrahydroxy-1-methoxy-, (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.

안전 데이터

rtecs
QI9295500
ridadr
UN 2811 6.1 / PGIII
HS 번호
2914500000
15317051735 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
北京康派森医药科技有限公司010-010-52878169 15801002657 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
珠海安哲生物科技有限公司13169972583 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
杭州鼎燕化工有限公司0571-87157530-8003 18049756717 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
BOC Sciences16314854226 · [email protected]
湖北扬信医药科技有限公司07143299675 13092790750 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
深圳菲斯生物科技有限公司0755-4000505016 13380397412 · [email protected]
深圳市华信医药科技有限公司15671363360 · [email protected]
湖北瑞诺医药科技有限公司13165688766 · [email protected]
广州佳途科技股份有限公司020-81960175-877 18933936954 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Biochempartner0086-13720134139 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
深圳市恒丰万达医药科技有限公司13986652530 · [email protected]
上海杰瑞兴生物医药科技有限公司17521512546 17721492509 · [email protected]
深圳晴天生物技术有限公司18823167005 18162969855 · [email protected]
雷丁科技0510-85629785 18013409632 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]