HCID299664

3-Demethylcolchicine

N-[(7S)-3-hydroxy-1,2,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

C21H23NO6385.4 g/molCAS 7336-33-6

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IDENTITY

结构与身份

标准SMILES: COc1c(O)cc2c(c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2
InChIKey: JRRUSQGIRBEMRN-HNNXBMFYSA-N
分子式: C21H23NO6
平均分子量: 385.4 g/mol
单同位素质量: 385.15253745

COMPUTED

结构计算性质

已同步

XLogP: 0.7
极性表面积: 94.1 Å²
氢键供体: 2
氢键受体: 6
可旋转键: 4
重原子: 28
形式电荷: 0
复杂度: 724

GHS

GHS分类

来源：PubChem

GHS Classification

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.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Acute Tox. 2 (100%)；Eye Dam. 1 (100%)；Acute Tox. 2 (100%)；Muta. 1B (100%)

ALIASES

名称与别名

共 68 条

3-Demethylcolchicine3-Desmethylcolchicine7336-33-6O3-Demethylcolchicine3-O-DemethylcolchicineC939KS8QELNSC-172946DTXSID30223604RefChem:501061DTXCID20146095630-470-83-Demethyl Colchicine(-)-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

REACTIONS

参与反应

2 条

uspto-grants-1992_12 · 10.6084/m9.figshare.5104873.v1 · US05175342

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uspto-grants-1987_09 · 10.6084/m9.figshare.5104873.v1 · US04692463

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