기본 정보
- 표준 SMILES
C[C@H](N)[C@@H](O)c1ccccc1- InChIKey
DLNKOYKMWOXYQA-IONNQARKSA-N- 분자식
- C9H13NO
- 평균 분자량
- 151.21 g/mol
개요
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.
이름 및 식별자
- 우선 이름
- Cathine
- IUPAC
- (1S,2S)-2-amino-1-phenylpropan-1-ol
- 현지명
- (R*,R*)-알파-(1-아미노에틸)벤질알코올
- 영어명
- (R*,R*)-alpha-(1-aminoethyl)benzyl alcohol
- 분자식
- C9H13NO
- 분자량
- 151.21
이름 및 동의어
CathinePseudonorephedrine(+)-NorpseudoephedrineKatineD-CathineCathinumd-Norpseudoephedrinepsi-Norephedrine(1S,2S)-2-amino-1-phenylpropan-1-old-Nor-psi-ephedrine492-39-7(1S,2S)-Pseudonorephedrine
이름 더 보기
(R*,R*)-알파-(1-아미노에틸)벤질알코올(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
데이터베이스 식별자
- 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
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 46.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 110
실험 및 물리화학적 성질
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
물리화학적 성질
- 녹는점
- 77.5 · 77.5-78 °C
- 끓는 점
- 288.1 · 288.1±20.0 °C(Predicted)
- 밀도
- 1.071 · 1.071±0.06 g/cm3(Predicted)
- 용해도
- 10 mg/mlEthanol: · DMSO: Soluble: =10 mg/mlEthanol: Soluble: =10 mg/mlPBS (pH 7.2): Sparingly Soluble: 1-10 mg/ml
- 산도 계수 (pKa)
- 12.07 · 12.07±0.45(Predicted)
- EPA
- 1 R)-1-aminoethyl]-, · Benzenemethanol, .alpha.-[(1R)-1-aminoethyl]-, (.alpha.R)-rel- (36393-56-3)
안전 및 규제
GHS 분류
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.
유해성 정보
Regulatory InformationDEA schedule IV controlled substance
Hazard Classes and CategoriesAcute Tox. 3 (100%)
안전 데이터
- tsca
- TSCA listed
- 독성
- LD50 scu-mus: 450 mg/kg ARZNAD 5,367,55
화학 및 산업
약리 정보
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]
용도 및 제조
Use ClassificationPharmaceuticals
General Manufacturing InformationBenzenemethanol, .alpha.-[(1S)-1-aminoethyl]-, (.alpha.S)-: ACTIVE
관련 반응
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