E148
(±)-N-Ethyl-3,4-methylenedioxyamphetamine hydrochloride
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About This Item
Empirical Formula (Hill Notation):
C12H17NO2 · HCl
CAS Number:
Molecular Weight:
243.73
UNSPSC Code:
41116107
MDL number:
drug control
USDEA Schedule I; stupéfiant (France); kontrollierte Droge in Deutschland; regulated under CDSA - not available from Sigma-Aldrich Canada
SMILES string
Cl.CCNC(C)Cc1ccc2OCOc2c1
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral - STOT SE 3
target_organs
Respiratory system
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 2
flash_point_f
Not applicable
flash_point_c
Not applicable
Regulatory Information
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Tsadik T Abraham et al.
Journal of analytical toxicology, 33(8), 439-446 (2009-10-31)
3,4-Methylenedioxymethamphetamine (MDMA), or ecstasy, is excreted as unchanged drug, 3,4-methylenedioxyamphetamine (MDA), and free and glucuronidated/sulfated 4-hydroxy-3-methoxymethamphetamine (HMMA), and 4-hydroxy-3-methoxyamphetamine (HMA) metabolites. The aim of this paper is to describe the pattern and timeframe of excretion of MDMA and its metabolites
A B Scholey et al.
Neuropsychobiology, 63(1), 15-21 (2010-10-22)
Our group has conducted several Internet investigations into the biobehavioural effects of self-reported recreational use of MDMA (3,4-methylenedioxymethamphetamine or Ecstasy) and other psychosocial drugs. Here we report a new study examining the relationship between self-reported Ecstasy use and traces of
Kei Zaitsu et al.
Forensic science international, 188(1-3), 131-139 (2009-05-02)
This is the first report on identifying the specific metabolites of the new designer drugs 2-methylamino-1-(3,4-methylenedioxyphenyl)butan-1-one (bk-MBDB) and 2-ethylamino-1-(3,4-methylenedioxyphenyl)propan-1-one (bk-MDEA) in human urine using synthesized standards. Based on GC/MS and LC/MS, we identified N-dealkylation, demethylenation followed by O-methylation, and beta-ketone
Markus R Meyer et al.
Drug metabolism and disposition: the biological fate of chemicals, 37(6), 1152-1156 (2009-03-21)
The 3,4-methylenedioxy-methamphetamine (MDMA)-related designer drug 3,4-methylenedioxyethylamphetamine (MDEA, Eve) is a chiral compound that is mainly metabolized by N-deethylation and demethylenation during phase I metabolism. The involvement of several cytochrome P450 (P450) isozymes in these metabolic steps has been demonstrated by
Rita Santos et al.
Journal of chemical information and modeling, 50(1), 146-154 (2009-11-11)
Active-site water molecules form an important component in biological systems, facilitating promiscuous binding or an increase in specificity and affinity. Taking water molecules into account in computational approaches to drug design or site-of-metabolism predictions is currently far from straightforward. In
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