3-Demethylcolchicine

HCID 299664
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Grundinformationen

CAS
7336-33-6
Standard-SMILES
COc1c(O)cc2c(c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2
InChIKey
JRRUSQGIRBEMRN-HNNXBMFYSA-N
Summenformel
C21H23NO6
Durchschnittliche Molmasse
385,4 g/mol
Monoisotopische Masse
385,15253745

Namen und Bezeichner

Bevorzugter Name
3-Demethylcolchicine
IUPAC
N-[(7S)-3-hydroxy-1,2,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
Englischer Name
(-)-3-Demethylcolchicine
Summenformel
C21H23NO6
Molmasse
385.41

Namen und Synonyme

3-Demethylcolchicine3-Desmethylcolchicine7336-33-6O3-Demethylcolchicine3-O-DemethylcolchicineC939KS8QELNSC-172946DTXSID30223604RefChem:501061DTXCID20146095630-470-83-Demethyl Colchicine
Weitere Namen anzeigen
Colchicine 3-Demethyl Impurity3-demethylcolchicine, 10 mM in DMSOColchicine Impurity 5（Colchicine EP Impurity E）
(-)-3-demethylcolchicineColchicine EP Impurity EColchicine, O(3)-demethyl-N-[(7S)-3-hydroxy-1,2,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamideDesmethylcolchicineNSC1729463-DESMETHYLCOLCHICINCHEMBL1081

Datenbank-Bezeichner

CAS
7336-33-6
PubChem CID
299664
DTXSID
DTXSID30223604
ChEMBL
CHEMBL1081
UNII
C939KS8QEL
EC Number
630-470-8
Nikkaji
J118.413J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,7
Polarare Oberfläche (TPSA)
94,1 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
4
Schwere Atome
28

Physikochemische Eigenschaften

Schmelzpunkt
163 · 163-166°C
Siedepunkt
768.3 · 768.3±60.0 °C(Predicted)
Dichte
1.31 · 1.31±0.1 g/cm3(Predicted)
storage temp.
Refrigerator
Löslichkeit
100 mg/mL · DMSO : 100 mg/mL (259.46 mM; Need ultrasonic)
Aggregatzustand
A solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H330 (100%): Fatal if inhaled [Danger Acute toxicity, inhalation]；H340 (100%): May cause genetic defects [Danger Germ cell mutagenicity]

P203, P260, P264, P264+P265, P270, P271, P280, P284, P301+P316, P304+P340, P305+P354+P338, P316, P317, P318, P320, P321, P330, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 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

Hazard Classes and CategoriesAcute Tox. 2 (100%)；Eye Dam. 1 (100%)；Acute Tox. 2 (100%)；Muta. 1B (100%)

Sicherheitsdaten

Toxizität
LD50 intraperitoneal in mouse: 570ug/kg

Chemie und Industrie

Anwendungen

VerwendenA metabolite of Colchicine (C640000). Has shown anti-tumor activity.

Anbieter77 Anbieter

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
上海纯优生物科技有限公司18302135232 18302135232 · [email protected]

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