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(+)-Daunomycinone

HCID 83843
NotizenReaktionen
GrundinformationenNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

CAS
21794-55-8
Standard-SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O
InChIKey
YOFDHOWPGULAQF-MQJDWESPSA-N
Summenformel
C21H18O8
Durchschnittliche Molmasse
398,4 g/mol
Monoisotopische Masse
398,10016753

Namen und Bezeichner

Bevorzugter Name
(+)-Daunomycinone
IUPAC
(7S,9S)-9-acetyl-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Englischer Name
DAUNOMYCINONE
Summenformel
C21H18O8
Molmasse
398.36

Namen und Synonyme

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
Weitere Namen anzeigen
(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

Datenbank-Bezeichner

CAS
21794-55-8
PubChem CID
83843

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,2
Polarare Oberfläche (TPSA)
141 Ų
H-Brücken-Donoren
4
H-Brücken-Akzeptoren
8
Frei drehbare Bindungen
2
Schwere Atome
29
Formalladung
0
Komplexität
721

Physikochemische Eigenschaften

Schmelzpunkt
208 · 208-210°C
Siedepunkt
677.4 · 677.4±55.0 °C(Predicted)
Dichte
1.59 · 1.590±0.06 g/cm3(Predicted)
storage temp.
-20 °C · -20°C Freezer
Löslichkeit
Chloroform (Slightly), DMSO (Slightly), Methanol (Very Slightly, Heated)
Aggregatzustand
Solid
pka
7.48 · 7.48±0.60(Predicted)
Farbe
Red

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Regulatory Information · 1 Eintrag

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.

Chemie und Industrie

Anwendungen

VerwendenDaunomycinone is the main metabolite of Daunorubicin (D194500).

Anbieter58 Anbieter

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]

Zugehörige Reaktionen

5
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 25915
HRID 25915als Eduktuspto-grants-1979_04
Reaktionsgleichung von HRID 596935
HRID 596935als Eduktuspto-grants-1977_03
Reaktionsgleichung von HRID 1448939
HRID 1448939als Eduktuspto-grants-1980_02
Reaktionsgleichung von HRID 1833994
HRID 1833994als Eduktuspto-grants-1978_01
Reaktionsgleichung von HRID 1834487
HRID 1834487als Eduktuspto-grants-1978_01

Notizen zur Verbindung

Wird geladen…

Auf dieser SeiteGrundinformationenNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
DTXSID
DTXSID50944400
ChEMBL
CHEMBL423953
ChEBI
CHEBI:204476
UNII
FN5680X78X
EC Number
680-667-8
Nikkaji
J16.581F
Hazard Classes and CategoriesAcute 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%)

Regulatorische Informationen

Regulatory Information · 1 Eintrag

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.

Sicherheitsdaten

ridadr
UN 2811 6.1 / PGIII
hs_code
2914500000
RTECS-Nr.
QI9295500
上海维亦特生物科技有限公司
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]