MetaADEDB 2.0 @ LMMD
8-(4-sulfophenyl)theophylline
(LXJSJIXZOAMHTG-UHFFFAOYSA-N)
Structure
SMILES
Cn1c2nc([nH]c2c(=O)n(c1=O)C)c1ccc(cc1)S(=O)(=O)O
Molecular Formula:
C13H12N4O5S
Molecular Weight:
336.323
Log P:
0.9548
Hydrogen Bond Acceptor:
8
Hydrogen Bond Donor:
2
TPSA:
135.43
CAS Number(s):
80206-91-3
Synonym(s)
1.
8-(4-sulfophenyl)theophylline
2.
8-(p-sulfophenyl)theophylline
3.
8-PSPT
4.
8-sulfophenyltheophylline
5.
8-sulphophenyltheophylline
6.
PSP-theophylline
External Link(s)
MeSHC031433
PubChem Compound1908
BindingDB82023
CHEMBLCHEMBL8488
Therapeutic Target DatabaseD09QLB
ZINC5322904
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Hypotension16595736CTD
Powered by :

Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120262

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.