MetaADEDB 2.0 @ LMMD
nicotine 1-N-oxide
(RWFBQHICRCUQJJ-UHFFFAOYSA-N)
Structure
SMILES
[O-][N+]1(C)CCCC1c1cccnc1
Molecular Formula:
C10H14N2O
Molecular Weight:
178.231
Log P:
1.8197
Hydrogen Bond Acceptor:
2
Hydrogen Bond Donor:
0
TPSA:
42.32
CAS Number(s):
63551-14-4
Synonym(s)
1.
nicotine 1-N-oxide
2.
nicotine 1-N-oxide, (1R-cis)-isomer
3.
nicotine 1-N-oxide, (1R-trans)-isomer
4.
nicotine 1-N-oxide, (1S-cis)-isomer
5.
nicotine 1-N-oxide, (1S-trans)-isomer
6.
nicotine 1-N-oxide, (2S)-isomer
7.
nicotine 1-N-oxide, (R)-isomer
8.
nicotine 1-N-oxide, (S)-isomer
9.
nicotine 1-N-oxide, 14C-labeled cpd
10.
nicotine 1-N-oxide, dihydrochloride, (1R-trans)-isomer
11.
nicotine 1-N-oxide, dihydrochloride, (1S-trans)-isomer
12.
nicotine 1-N-oxide, dihydrochloride, (S)-isomer
13.
nicotine-1'-N-oxide
14.
nicotine-1'-oxide
External Link(s)
MeSHC024270
PubChem Compound409
ChEBI30734
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Gastrointestinal Neoplasms3865011CTD
Powered by :

Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120330

Copyright © 2019-2020 Laboratory of Molecular Modeling and Design, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology. All rights reserved.