Grundinformationen
- Standard-SMILES
C[C@H](N)[C@@H](O)c1ccccc1- InChIKey
DLNKOYKMWOXYQA-IONNQARKSA-N- Summenformel
- C9H13NO
- Durchschnittliche Molmasse
- 151,21 g/mol
Überblick
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.
Namen und Bezeichner
- Bevorzugter Name
- Cathine
- IUPAC
- (1S,2S)-2-amino-1-phenylpropan-1-ol
- Lokaler Name
- (R*,R*)-α-(1-Aminoethyl)benzylalkohol
- Englischer Name
- (R*,R*)-alpha-(1-aminoethyl)benzyl alcohol
- Summenformel
- C9H13NO
- Molmasse
- 151.21
Namen und Synonyme
CathinePseudonorephedrine(+)-NorpseudoephedrineKatineD-CathineCathinumd-Norpseudoephedrinepsi-Norephedrine(1S,2S)-2-amino-1-phenylpropan-1-old-Nor-psi-ephedrine492-39-7(1S,2S)-Pseudonorephedrine
Weitere Namen anzeigen
(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
Datenbank-Bezeichner
- 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
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,8
- Polarare Oberfläche (TPSA)
- 46,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 110
Experimentelle und physikochemische Eigenschaften
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
Physikochemische Eigenschaften
- Schmelzpunkt
- 77.5 · 77.5-78 °C
- Siedepunkt
- 288.1 · 288.1±20.0 °C(Predicted)
- Dichte
- 1.071 · 1.071±0.06 g/cm3(Predicted)
- Löslichkeit
- 10 mg/mlEthanol: · DMSO: Soluble: =10 mg/mlEthanol: Soluble: =10 mg/mlPBS (pH 7.2): Sparingly Soluble: 1-10 mg/ml
- pka
- 12.07 · 12.07±0.45(Predicted)
- EPA chemische Informationen
- 1 R)-1-aminoethyl]-, · Benzenemethanol, .alpha.-[(1R)-1-aminoethyl]-, (.alpha.R)-rel- (36393-56-3)
Sicherheit und Regulatorisches
GHS-Klassifizierung
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.
Gefahrenhinweise
Regulatory InformationDEA schedule IV controlled substance
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Sicherheitsdaten
- tsca
- TSCA listed
- Toxizität
- LD50 scu-mus: 450 mg/kg ARZNAD 5,367,55
Chemie und Industrie
Pharmakologische Informationen
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]
Verwendung und Herstellung
Use ClassificationPharmaceuticals
General Manufacturing InformationBenzenemethanol, .alpha.-[(1S)-1-aminoethyl]-, (.alpha.S)-: ACTIVE
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