Details
Stereochemistry | ACHIRAL |
Molecular Formula | C10H10N2 |
Molecular Weight | 158.1998 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CN1C=CC=C1C2=CC=CN=C2
InChI
InChIKey=RYFOJXFXERAMLS-UHFFFAOYSA-N
InChI=1S/C10H10N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2-8H,1H3
Molecular Formula | C10H10N2 |
Molecular Weight | 158.1998 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Originator
Sources: Cahours and Etard, Bulletin Societe Chimique, vol. 34, page 449 (1880)
Curator's Comment: reference retrieved from https://www.thevespiary.org/library/Files_Uploaded_by_Users/hex/Nicotine.pdf | https://books.google.ru/books?id=g_jJCgAAQBAJ&printsec=frontcover&hl=ru#v=onepage&q&f=false
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL3542436 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22486895 |
0.17 µM [Ki] | ||
Target ID: CHEMBL5282 |
0.37 µM [Ki] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
PubMed
Title | Date | PubMed |
---|---|---|
Studies on the pyrrolinone metabolites derived from the tobacco alkaloid 1-methyl-2-(3-pyridinyl)pyrrole (beta-nicotyrine). | 1999 Jun |
|
On-Line Chemical Composition Analysis of Refillable Electronic Cigarette Aerosol-Measurement of Nicotine and Nicotyrine. | 2015 Oct |
|
Electronic cigarettes: The nicotyrine hypothesis. | 2015 Sep |
Patents
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/10813649
Unknown
Route of Administration:
Unknown
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/25221795
Unknown
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 18:09:02 GMT 2023
by
admin
on
Fri Dec 15 18:09:02 GMT 2023
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Record UNII |
XN4R1LH79Y
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Record Status |
Validated (UNII)
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207-651-1
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XN4R1LH79Y
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Nicotyrine
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407276
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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