基本情報
- CAS
36393-56-3- 標準SMILES
C[C@H](N)[C@@H](O)c1ccccc1- InChIKey
DLNKOYKMWOXYQA-IONNQARKSA-N- 分子式
- C9H13NO
- 平均分子量
- 151.21 g/mol
概要
Cathine is an amphetamine that is propylbenzene substituted by a hydroxy group at position 1 and by an amino group at position 2 (the 1S,2S-stereoisomer). It has a role as a central nervous system stimulant, a psychotropic drug and a plant metabolite. It is a member of amphetamines and a phenethylamine alkaloid.
名称と識別子
- 優先名称
- Cathine
- IUPAC
- (1S,2S)-2-amino-1-phenylpropan-1-ol
- 現地名
- rel-(R*)-α-[(R*)-1-アミノエチル]ベンゼンメタノール
- 英語名
- (R*,R*)-alpha-(1-aminoethyl)benzyl alcohol
- 分子式
- C9H13NO
- 分子量
- 151.21
名称と別名
CathinePseudonorephedrine(+)-NorpseudoephedrineKatineD-CathineCathinumd-Norpseudoephedrinepsi-Norephedrine(1S,2S)-2-amino-1-phenylpropan-1-old-Nor-psi-ephedrine492-39-7(1S,2S)-Pseudonorephedrine
名称をさらに表示
プソイドノルエフェドリンエクスポンシットノルプソイドエフェドリンψ-ノルフェドリンdl-ノルプソイドエフェドリンrel-(R*)-α-[(R*)-1-アミノエチル]ベンゼンメタノールミヌシン(1R,2R)-2-amino-1-phenylpropan-1-olMinusinedl-Norpseudoephedrinerac Norpseuoephedrine(±)-Norpseudoephedrine(R*,R*)-alpha-(1-aminoethyl)benzyl alcoholBenzenemethanol, α-[(1R)-1-aminoethyl]-, (αR)-rel-NORPSEUDOEPHEDRINE HCL SNAP-N-SHOOT 1.0MG/ML(SECONDARY STANDARD)NORPSEUDOEPHEDRINE HCL SNAP-N-SHOOT 0.1MG/ML(REAGENT / STANDARD GRADE)Pseudoephedrine HCl Related compound-BQ: What is Pseudoephedrine HCl Related compound-B Q: What is the CAS Number of Pseudoephedrine HCl Related compound-B
Norpseudoephedrine, d-threo-1-Phenyl-1-hydroxy-2-aminopropanethreo-2-Amino-1-hydroxy-1-phenylpropaneD-(+)-NorpseudoephedrineE1L4ZW2F8O(1S,2S)-2-amino-1-phenyl-propan-1-olTHREO-2-AMINO-1-PHENYLPROPAN-1-OLCHEBI:4109
データベース識別子
- CAS
36393-56-3、492-39-7- PubChem CID
- 441457
- DTXSID
DTXSID20889399- ChEMBL
CHEMBL1412041- ChEBI
CHEBI:4109- UNII
- 27A0HLC3HH、E1L4ZW2F8O
- EC Number
- 207-754-1
- Nikkaji
- J9.386F
物性
構造計算による物性
- XLogP
- 0.8
- 極性表面積
- 46.3 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 2
- 回転可能結合数
- 2
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 110
実験および物理化学的性質
Drugs
DEA Schedule IV Controlled Substance -> Stimulants
Pharmaceuticals -> Metabolite of Pseudoephedrine
Pharmaceuticals -> Listed in ZINC15
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Human DrugsPharmaceuticals
Melting Point77.5-78 °C
Dissociation Constants9.19
物理化学的性質
- 融点
- 77.5 · 77.5-78 °C
- 沸点
- 288.1 · 288.1±20.0 °C(Predicted)
- 比重(密度)
- 1.071 · 1.071±0.06 g/cm3(Predicted)
- 溶解性
- 10 mg/mlEthanol: · DMSO: Soluble: =10 mg/mlEthanol: Soluble: =10 mg/mlPBS (pH 7.2): Sparingly Soluble: 1-10 mg/ml
- 酸解離定数(Pka)
- 12.07 · 12.07±0.45(Predicted)
- EPAの化学物質情報
- 1 R)-1-aminoethyl]-, · Benzenemethanol, .alpha.-[(1R)-1-aminoethyl]-, (.alpha.R)-rel- (36393-56-3)
安全と法規制
GHS分類
GHS Classification
Danger
H301 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationDEA schedule IV controlled substance
Hazard Classes and CategoriesAcute Tox. 3 (100%)
安全データ
- tsca
- TSCA listed
- 毒性
- LD50 scu-mus: 450 mg/kg ARZNAD 5,367,55
化学と産業
薬理情報
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
PharmacodynamicsClosely related to ephedrine, cathinone and other amphetamines, it may contribute to the stimulant effect of <i>Catha edulis</i>, although another constituent, cathinone appears to show stronger activity.
Biological Half-Life5.2 +/- 3.4 hours
MeSH Pharmacological ClassificationAgents that are used to suppress appetite.
Absorption, Distribution and ExcretionThe mucosa of the oral cavity is considered to be the first absorption segment, where the major proportion of the alkaloids is absorbed (mean +/- SD: 84 +/- 6% for cathine). [PMID: 12848785]
用途と製造
Use ClassificationPharmaceuticals
General Manufacturing InformationBenzenemethanol, .alpha.-[(1S)-1-aminoethyl]-, (.alpha.S)-: ACTIVE
関連反応
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化合物ノート
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