基本情報
- CAS
1330261-21-6- 標準SMILES
COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O- InChIKey
XJQPQKLURWNAAH-UHFFFAOYSA-N- 分子式
- C18H29NO3
- 平均分子量
- 307.4 g/mol
概要
Dihydrocapsaicin is a capsaicinoid.
名称と識別子
- 優先名称
- Dihydrocapsaicin
- IUPAC
- N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide
- 英語名
- Dihydro Capsaicin-d3
- 分子式
- C18H29NO3
- 分子量
- 307.42776
名称と別名
Dihydrocapsaicin19408-84-56,7-Dihydrocapsaicin8-Methyl-N-vanillylnonanamideN-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamideNonanamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-Nonanamide, 8-methyl-N-vanillyl-W9BV32M08ADTXSID4041864CHEBI:46932N-((4-Hydroxy-3-methoxyphenyl)methyl)-8-methylnonanamideNonanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-
名称をさらに表示
D3-Dihydro CapsaicinDihydro Capsaicin-d36,7-Dihydrocapsaicin-d3[2H3]-Dihydro Capsaicin8-Methyl-N-vanillylnonanaMide-d3N-[(4-Hydroxy-3-Methoxyphenyl)Methyl]-8-MethylnonanaMide-d3
N-[(4-Hydroxy-3-methoxy-phenyl)methyl]-8-methyl-nonanamideN-((4-hydroxy-3-methoxy-phenyl)methyl)-8-methyl-nonanamideRefChem:34595DTXCID2021864606-308-7N-(4-hydroxy-3-methoxybenzyl)-8-methylnonanamidedihydro capsaicinMFCD00057794
データベース識別子
- CAS
1330261-21-6- ChEMBL
CHEMBL311158- ChEBI
CHEBI:46932- UNII
- W9BV32M08A
- EC Number
- 606-308-7
- Nikkaji
- J126.282C
物性
構造計算による物性
- XLogP
- 4.4
- 極性表面積
- 58.6 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 10
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 307
実験および物理化学的性質
LipidsFatty Acyls [FA] -> Fatty amides [FA08] -> N-acyl amines [FA0802]
Melting Point
65.5 - 65.8 °C
65.5-65.8 °F
Physical Description
Solid
Pure dihydrocapsaicin is a lipophilic colorless odorless crystalline to waxy compound. It is found in pepper (C. annum).
Collision Cross Section164.84 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
物理化学的性質
- 溶解性
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- 外見
- Solid
- 色
- White to Off-White
化学的性質
化学的特性White Solid
安全と法規制
GHS分類
GHS Classification
Danger
H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 3 (97.6%)
化学と産業
薬理情報
Cellular LocationsExtracellular
応用分野
使用Labelled Capsaicin (C175680) analog. A VR1 vaniloid receptor agonist.
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