(+)-Narwedine

HCID 441596

ノート反応

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基本情報

CAS: 1668-86-6
標準SMILES: COc1ccc2c3c1O[C@@H]1CC(=O)C=C[C@]31CCN(C)C2
InChIKey: QENVUHCAYXAROT-RHSMWYFYSA-N
分子式: C17H19NO3
平均分子量: 285.34 g/mol

概要

(+)-narwedine has been reported in Amaryllidaceae, Leucojum aestivum, and other organisms with data available.

名称と識別子

優先名称: (+)-Narwedine
IUPAC: (1R,12R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-one
英語名: (+/-)-Narwedine
分子式: C17H19NO3
分子量: 285.34

名称と別名

(+)-NarwedineNarwedine, (+)-7318-55-0UNII-6A3S1D0Z5T6A3S1D0Z5T1668-86-6(4aR,8aR)-3-methoxy-11-methyl-4a,5,9,10,11,12-hexahydro-6H-benzo[2,3]benzofuro[4,3-cd]azepin-6-one6H-Benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4aR,8aR)-rel-(+/-)-Narwedinerel-(4aR,8aR)-3-Methoxy-11-methyl-4a,5,9,10,11,12-hexahydro-6H-benzo[2,3]benzofuro[4,3-cd]azepin-6-one(+) narwedine(+)-GALANTHAMINONE

名称をさらに表示

(4aR8aR)-rel-DL-Narwedine(+/-) NAWEDINEL(+)-Narwedine(+/-s)Narwedin6H-Benzofuro[3aNarwedine,racemic2-ef][2]benzazepin-6-one

SCHEMBL13993768AKOS015909405(1R,12R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-oneNS00077733H36277Q27264396GALANTHAMINE, 3-DEOXY-3-OXO-, (4A.BETA.,4BS*)-6H-BENZOFURO(3A,3,2-EF)(2)BENZAZEPIN-6-ONE, 4A,5,9,10,11,12-HEXAHYDRO-3-METHOXY-11-METHYL-, (4AR,8AR)-

データベース識別子

CAS: 1668-86-6、7318-55-0
PubChem CID: 441596
UNII: 6A3S1D0Z5T
EC Number: 605-454-9
Nikkaji: J977.690G

物性

構造計算による物性

XLogP: 1.7
極性表面積: 38.8 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 21
形式電荷: 0
複雑度: 477

物理化学的性質

融点: 198 · 198-199 °C(Solv: ethyl acetate (141-78-6))
沸点: 397.4 · 397.4±42.0 °C(Predicted)
比重(密度): 1.28 · 1.28
酸解離定数(Pka): 7.84 · 7.84±0.20(Predicted)
InChI: InChI=1/C17H19NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,14H,7-10H2,1-2H3/t14-,17-/s3
InChIKey: QENVUHCAYXAROT-OALMKZFLNA-N
SMILES: N1(C)CC2=CC=C(OC)C3O[C@@]4([H])[C@](C=CC(=O)C4)(C2=3)CC1 |&1:11,13,r|
CAS データベース: 1668 · 1668-86-6

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

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

P203, P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P318, P330, P337+P317, 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.

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

危険有害性情報

Hazard Classes and Categories · 2 件

Acute Tox. 4 (100%)

Acute toxicity - category 4

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

応用分野 · 1 件

使用Narwedine is the biogenetic precursor of galanthamine, has been studied as a respiratory stimulator. It increases the amplitude and decreases the frequency of cardiac contractions and would therefore be of value in reducing blood loss during surgery. It also inhibits the action of narcotics and hypnotics, and increases the analgesic effect of morphine as well as the pharmacological effects of caffeine, carbazole, arecoline, and nicotine.

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化合物ノート

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