(+)-Catharanthine

HCID 5458190

データを補完しています。通常は 1 分以内に完了します

基本情報

CAS
2468-21-5
標準SMILES
CCC1=C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C(=O)OC)(C2)[C@@H]13
InChIKey
CMKFQVZJOWHHDV-NQZBTDCJSA-N
分子式
C21H24N2O2
平均分子量
336.4 g/mol
単同位体質量
336.18377801

概要

Catharanthine is an organic heteropentacyclic compound and monoterpenoid indole alkaloid produced by the medicinal plant Catharanthus roseus via strictosidine. It is a methyl ester, a bridged compound, an organic heteropentacyclic compound, an alkaloid ester, a tertiary amino compound and a monoterpenoid indole alkaloid. It is a conjugate base of a catharanthine(1+).

名称と識別子

優先名称
(+)-Catharanthine
IUPAC
methyl (1R,15R,18R)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene-1-carboxylate

名称と別名

Catharanthine2468-21-5(+)-CatharanthineWT0YJV846J(+)-3,4-DidehydrocoronaridineCHEBI:3469DTXSID80947621methyl (1R,15R,18R)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene-1-carboxylatemethyl (1R,15R,18R)-17-ethyl-3,13-diazapentacyclo(13.3.1.02,10.04,9.013,18)nonadeca-2(10),4,6,8,16-pentaene-1-carboxylateRefChem:574901DTXCID401527514219-586-6
名称をさらに表示
Catharanthine BaseMFCD01753356CHEMBL2163793Ibogamine-18-carboxylic acid, 3,4-didehydro-, methyl ester, (2alpha,5beta,6alpha,18beta)-Catharanthine, (+)-(6R,6aR,9R,11R)-Methyl 7-ethyl-6,6a,9,10,12,13-hexahydro-5H-6,9-methanopyrido[1',2':1,2]azepino[4,5-b]indole-6-carboxylateUNII-WT0YJV846JEINECS 219-586-6

データベース識別子

CAS
2468-21-5
PubChem CID
5458190
DTXSID
DTXSID80947621
ChEMBL
CHEMBL2163793
ChEBI
CHEBI:3469
UNII
WT0YJV846J
EC Number
219-586-6
Nikkaji
J15.154H、J2.996.318E

物性

構造計算による物性補完中

XLogP
2.8
極性表面積
45.3 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
3
重原子数
25

実験および物理化学的性質

LogP3.45

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

関連反応

7 件

化合物ノート

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