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Merck
CN

T116

Thebaine

Synonym(s):

Paramorphine

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About This Item

Empirical Formula (Hill Notation):
C19H21NO3
CAS Number:
115-37-7
Molecular Weight:
311.37
EC Number:
204-084-1
UNSPSC Code:
41116107
MDL number:
MFCD00027409

Key Documents

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InChI key

FQXXSQDCDRQNQE-VMDGZTHMSA-N

InChI

1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m1/s1

SMILES string

[H][C@@]12Oc3c(OC)ccc4C[C@H]5N(C)CC[C@]1(C5=CC=C2OC)c34

drug control

USDEA Schedule II; regulated under CDSA - not available from Sigma-Aldrich Canada, kontrollierte Droge in Deutschland

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

format

neat

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Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Legal Information

German
Dieses Produkt fällt unter das Betäubungsmittelgesetz (BtMG). Für eine Bestellung dieses Produktes ist eine Erlaubnis nach § 3 BtMG zwingend erforderlich, es sei denn, es greift eine Ausnahme von der Erlaubnispflicht nach § 4 oder § 26 BtMG.

English
This product is subject to the German Narcotics Act. A permit under Section 3 of the German Narcotics Act is mandatory for ordering this product unless an exemption from the permit requirement under Section 4 or Section 26 of the German Narcotics Act applies.

pictograms

Skull and crossbones
GHS06

signalword

Danger

hcodes

H301

Hazard Classifications

Acute Tox. 3 Oral

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

Regulatory Information

监管及禁止进口产品
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Shahram Seidi et al.
Analytica chimica acta, 701(2), 181-188 (2011-08-02)
Opium determination is of great importance from toxicological and pharmaceutical standpoints. In present work, electromembrane extraction (EME) coupled with high-performance liquid chromatography (HPLC) and ultraviolet (UV) detection was developed for determination of thebaine as a natural alkaloid, in different matrices
Jihyun Shim et al.
The journal of physical chemistry. B, 115(22), 7487-7496 (2011-05-14)
Despite being studied for over 30 years, a consensus structure-activity relationship (SAR) that encompasses the full range peptidic and nonpeptidic μ-opioid receptor ligands is still not available. To achieve a consensus SAR the Conformationally Sampled Pharmacophore (CSP) method was applied
Nadja Grobe et al.
Proceedings of the National Academy of Sciences of the United States of America, 107(18), 8147-8152 (2010-04-28)
It has been firmly established that humans excrete a small but steady amount of the isoquinoline alkaloid morphine in their urine. It is unclear whether it is of dietary or endogenous origin. There is no doubt that a simple isoquinoline
David Rennison et al.
Journal of medicinal chemistry, 50(21), 5176-5182 (2007-09-25)
A new series of ligands has been synthesized where the cinnamoyl group of the 14-cinnamoylamino morphinones has been introduced to the 7alpha-substituent of the 6,14-bridged oripavine series. In vitro the compounds were mostly low efficacy partial agonists or antagonists with
Sooyeun Lee et al.
Forensic science international, 204(1-3), 115-118 (2010-06-19)
Opium poppy products are often illegally used for both recreational and medicinal purposes. In order to demonstrate the ingestion of opium poppy substances, morphine, codeine and their metabolites have been identified. However, morphine and codeine also originate from the ingestion
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