Colchicoside

HCID 92763

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基本情報

CAS: 477-29-2
標準SMILES: COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c(c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2
InChIKey: UXAFRQPVHYZDED-ZZEDUEFDSA-N
分子式: C27H33NO11
平均分子量: 547.5 g/mol
単同位体質量: 547.20536087

概要

Colchicoside is a member of acetamides, an alkaloid and a carbotricyclic compound.

名称と識別子

優先名称: Colchicoside
IUPAC: N-[(7S)-1,2,10-trimethoxy-9-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide
英語名: COLCHICOSIDE
分子式: C27H33NO11
分子量: 547.55

名称と別名

Colchicoside477-29-23-Demethylcolchicine glucosideDYD0I854K7DTXSID301010233NSC-32992NSC-624672N-[(7S)-1,2,10-trimethoxy-9-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamideN-((7S)-1,2,10-trimethoxy-9-oxo-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-6,7-dihydro-5H-benzo(a)heptalen-7-yl)acetamideRefChem:127438DTXCID001436642207-513-0

名称をさらに表示

Nsc32992Nsc624672Aids012001Aids-012001Colchicine impurity DCOLCHICOSIDE IMPURITYCOLCHICOSIDE USP/EP/BPThiocolchicoside Impurity DColchicoside, 10 mM in DMSO

ACETAMIDE, N-((7S)-3-(BETA-D-GLUCOPYRANOSYLOXY)-5,6,7,9-TETRAHYDRO-1,2,10-TRIMETHOXY-9-OXOBENZO(A)HEPTALEN-7-YL)-Colchicine EP impurity DN-((S)-1,2,10-trimethoxy-9-oxo-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamideEINECS 207-513-0NSC 32992NSC 624672BRN 0072204C27H33NO11

データベース識別子

CAS: 477-29-2
PubChem CID: 92763
DTXSID: DTXSID301010233
ChEMBL: CHEMBL5565245
ChEBI: CHEBI:81415
UNII: DYD0I854K7
EC Number: 207-513-0
Nikkaji: J120.901I

物性

構造計算による物性

XLogP: -1.1
極性表面積: 173 Å²
水素結合供与体数: 5
水素結合受容体数: 11
回転可能結合数: 7
重原子数: 39
形式電荷: 0
複雑度: 1,010

実験および物理化学的性質

Endocrine DisruptorsPotential endocrine disrupting compound

物理化学的性質

Melting point: 194 · 194-197°C
Boiling point: 620.17 °C · 620.17°C (rough estimate)
Density: 1.343 · 1.3430 (rough estimate)
refractive index: 1.64 · 1.6400 (estimate)
storage temp.: Refrigerator
solubility: 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; PBS (pH 7.2): 10 mg/ml
form: A crystalline solid
pka: 12.74 · 12.74±0.70(Predicted)
color: Light yellow to yellow
FDA UNII: 0 I854K7 · DYD0I854K7
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301
Precautionary statements: 264 · P264-P270-P301+P310-P321-P330-P405-P501
REACH Registrations: Active

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, 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.

危険有害性情報

Regulatory InformationREACH registered substance: Colchicoside (EC: 207-513-0)

Hazard Classes and CategoriesAcute Tox. 3 (100%)

安全データ

Signal word: Danger
Symbol(GHS): GHS06
Hazard statements: H301
REACH Registrations: Active
Precautionary statements: P264-P270-P301+P310-P321-P330-P405-P501

化学と産業

応用分野

UsesA significantly toxic Colchicine analog with no anti-inflammatory properties.

サプライヤー20 社

山西玉宁生物科技有限公司13623677056

成都健腾生物技术有限公司028-85159085 · [email protected]

武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]

佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]

深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]

補足説明

DefinitionChEBI: Colchicoside is a carbotricyclic compound, an alkaloid and a member of acetamides.

化合物ノート

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