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Merck
CN

T116

Supelco

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
MDL number:
MFCD00027409
UNSPSC Code:
41116107

Key Documents

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drug control

USDEA Schedule II; regulated under CDSA - not available from Sigma-Aldrich Canada

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

format

neat

SMILES string

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

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

InChI key

FQXXSQDCDRQNQE-VMDGZTHMSA-N

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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.

Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H301

Hazard Classifications

Acute Tox. 3 Oral

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

监管及禁止进口产品
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Nadja Grobe et al.
FEBS letters, 586(13), 1749-1753 (2012-05-30)
The assumption that CYP2D1 is the corresponding rat cytochrome to human CYP2D6 has been revisited using recombinant proteins in direct enzyme assays. CYP2D1 and 2D2 were incubated with known CYP2D6 substrates, the three morphine precursors thebaine, codeine and (R)-reticuline. Mass
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
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
Benjamin J Hindson et al.
Journal of pharmaceutical and biomedical analysis, 43(3), 1164-1168 (2006-11-14)
This paper describes the determination of opiate alkaloids (morphine, codeine, oripavine and thebaine) in industrial process liquors using capillary zone electrophoresis with UV-absorption detection at 214 nm. A study of cyclodextrin type and concentration revealed that the addition of 30
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
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