methamphetamine   

GtoPdb Ligand ID: 4803

Synonyms: deoxyephedrine | Desoxyn® | DL-methamphetamine | methamphetamine hydrochloride
methamphetamine is an approved drug (FDA (1943))
Compound class: Synthetic organic
Comment: Methamphetamine refers to the racemic free base mixture of the dextromethamphetamine (PubChem CID 10836) and levomethamphetamine (PubChem CID 36604) stereo-isomers. We show the structure without specified stereochemistry to represent the mixture. Methamphetamine use as a sympathomimetic has been largely replaced by safer substitutes with comparable clinical efficacy, but reduced propensity for serious side-effects and illicit recreational use. The production, distribution, sale, and possession of methamphetamine is restricted or illegal in many jurisdictions.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 12.03
Molecular weight 149.12
XLogP 2.15
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CNC(Cc1ccccc1)C
Isomeric SMILES CNC(Cc1ccccc1)C
InChI InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChI Key MYWUZJCMWCOHBA-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1943))
IUPAC Name
N-methyl-1-phenylpropan-2-amine
International Nonproprietary Names
INN number INN
1879 metamfetamine
Synonyms
deoxyephedrine | Desoxyn® | DL-methamphetamine | methamphetamine hydrochloride
Database Links
GtoPdb PubChem SID 178101505
PubChem CID 1206
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Wikipedia Methamphetamine