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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
Structure of NICOTYRINE

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

HIDE SMILES / InChI

Description

1-methyl-4-(3-pyridinyl) pyrrole (β-nicotyrine) is a tobacco alkaloid. It is a potent inhibitor of cytochrome P450 CYP2A13 and a mechanism-based inactivator of cytochrome P450 CYP2A6.

Originator

Cahours, A.|Etard, A.
2
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

Unknown
139594
Targets

Targets

Primary TargetPharmacologyConditionPotency
Inhibitor
8297
 0.17 µM [Ki]
Inhibitor
8297
 0.37 µM [Ki]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
On-Line Chemical Composition Analysis of Refillable Electronic Cigarette Aerosol-Measurement of Nicotine and Nicotyrine.
2015 Oct
Patents

Patents

CN104370879A
2
US2432642
2

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Name Type Language
NICOTYRINE
Common Name English
3-(1-METHYL-1H-PYRROL-2-YL)PYRIDINE
Systematic Name English
NICOTINE RELATED COMPOUND B [USP IMPURITY]
Common Name English
.BETA.-NICOTYRINE
Common Name English
NICOTINE RELATED COMPOUND B [USP-RS]
Common Name English
3,2'-NICOTYRINE
Common Name English
NICOTINE IMPURITY B [EP IMPURITY]
Common Name English
BETA-NICOTYRINE
Common Name English
NSC-407276
Code English
NICOTINE DITARTRATE DIHYDRATE IMPURITY B [EP IMPURITY]
Common Name English
PYRIDINE, 3-(1-METHYL-1H-PYRROL-2-YL)-
Systematic Name English
NICOTINE RESINATE IMPURITY B [EP IMPURITY]
Common Name English
NSC-127943
Code English
Code System Code Type Description
ECHA (EC/EINECS)
207-651-1
Created by admin on Fri Dec 15 18:09:02 GMT 2023 , Edited by admin on Fri Dec 15 18:09:02 GMT 2023
PRIMARY
FDA UNII
XN4R1LH79Y
Created by admin on Fri Dec 15 18:09:02 GMT 2023 , Edited by admin on Fri Dec 15 18:09:02 GMT 2023
PRIMARY
WIKIPEDIA
Nicotyrine
Created by admin on Fri Dec 15 18:09:02 GMT 2023 , Edited by admin on Fri Dec 15 18:09:02 GMT 2023
PRIMARY
NSC
127943
Created by admin on Fri Dec 15 18:09:02 GMT 2023 , Edited by admin on Fri Dec 15 18:09:02 GMT 2023
PRIMARY
PUBCHEM
10249
Created by admin on Fri Dec 15 18:09:02 GMT 2023 , Edited by admin on Fri Dec 15 18:09:02 GMT 2023
PRIMARY
RS_ITEM_NUM
1463337
Created by admin on Fri Dec 15 18:09:02 GMT 2023 , Edited by admin on Fri Dec 15 18:09:02 GMT 2023
PRIMARY
CAS
487-19-4
Created by admin on Fri Dec 15 18:09:02 GMT 2023 , Edited by admin on Fri Dec 15 18:09:02 GMT 2023
PRIMARY
EPA CompTox
DTXSID3075048
Created by admin on Fri Dec 15 18:09:02 GMT 2023 , Edited by admin on Fri Dec 15 18:09:02 GMT 2023
PRIMARY
NSC
407276
Created by admin on Fri Dec 15 18:09:02 GMT 2023 , Edited by admin on Fri Dec 15 18:09:02 GMT 2023
PRIMARY
SUBSTANCE RECORD
Structure of NICOTYRINE
NIH
NCATS
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