基本情報
- CAS
54192-66-4- 標準SMILES
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2- InChIKey
IAKHMKGGTNLKSZ-UHFFFAOYSA-N- 分子式
- C22H25NO6
- 平均分子量
- 399.4 g/mol
- 単同位体質量
- 399.16818752
概要
Colchicine is an alkaloid that is a carbotricyclic compound comprising 5,6,7,9-tetrahydrobenzo[a]heptalene having four methoxy substituents at the 1-, 2-, 3- and 10-positions as well as an oxo group at the 9-position and an acetamido group at the 7-position. It has been isolated from the plants belonging to genus Colchicum. It has a role as a microtubule-destabilising agent and a plant metabolite. It is a member of acetamides, an alkaloid, an aromatic ether and a carbotricyclic compound.
名称と識別子
- 優先名称
- N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)acetamide
- IUPAC
- N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
- 英語名
- (+-)-Colchicine
- 分子式
- C22H25NO6
- 分子量
- 399.44
名称と別名
54192-66-4N-(5,6,7,9-Tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)acetamideRefChem:1091337(R/S)-Colchicine209810-38-8Colchine(+/-)-ColchicineN-(1,2,3,10-Tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamideN-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide(+)-ColchicineAcetamide,N-[(7S)-5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl]-N-{3,4,5,14-tetramethoxy-13-oxotricyclo[9.5.0.0,2,7]hexadeca-1(16),2,4,6,11,14-hexaen-10-yl}acetamide
名称をさらに表示
rac-ColchicineAcetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-Acetamide, N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)-, (+-)-Colchicine Racemic Mixture ImpurityQ: What is Colchicine Racemic Mixture Impurity Q: What is the CAS Number of Colchicine Racemic Mixture Impurity
(+-)-COLCHICINEColchicine?(S)-(-)-colchicineCHEMBL87rac-Colchicine, >98%Neuro_000002MLS001181527SCHEMBL675246
データベース識別子
- CAS
54192-66-4、64-86-8- PubChem CID
- 2833
- DTXSID
DTXSID80859058- ChEMBL
CHEMBL87- ChEBI
CHEBI:23359- EC Number
- 895-866-7
- Nikkaji
- J3.375.337C
物性
構造計算による物性
- XLogP
- 1
- 極性表面積
- 83.1 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 6
- 回転可能結合数
- 5
- 重原子数
- 29
- 形式電荷
- 0
- 複雑度
- 740
実験および物理化学的性質
LogP
1.30
1.08
Solubility2.76e-02 g/L
Melting Point156 °C
Physical DescriptionSolid
物理化学的性質
- 融点
- 280 · 280-282 °C
- 沸点
- 726 · 726.0±60.0 °C(Predicted)
- 比重(密度)
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 14.75 · 14.75±0.40(Predicted)
安全と法規制
GHS分類
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 2 (100%)
安全データ
- 危険有害性情報
- コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H302
化学と産業
薬理情報
Cellular LocationsCytoplasm
サプライヤー2 社
梯尔希（南京）药物研发有限公司18012923235 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
補足説明
定義ChEBI: An alkaloid that is a carbotricyclic compound comprising 5,6,7,9-tetrahydrobenzo[a]heptalene having four methoxy substituents at the 1-, 2-, 3- and 10-positions as well as an oxo group at the 9-position and an acetamido group at the 7-positio . It has been isolated from the plants belonging to genus Colchicum.
関連反応
2 件
化合物ノート
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