MetaADEDB 2.0 @ LMMD
1-Methyl-3-isobutylxanthine
(APIXJSLKIYYUKG-UHFFFAOYSA-N)
Structure
SMILES
CC(Cn1c(=O)n(C)c(=O)c2c1nc[nH]2)C
Type(s)
Experimental
Molecular Formula:
C10H14N4O2
Molecular Weight:
222.244
Log P:
0.0793
Hydrogen Bond Acceptor:
5
Hydrogen Bond Donor:
1
TPSA:
72.68
CAS Number(s):
28822-58-4
Synonym(s)
1.
1-Methyl-3-isobutylxanthine
2.
3-Isobutyl-1-methylxanthine
3.
Isobutyltheophylline
4.
IBMX
5.
1 Methyl 3 isobutylxanthine
6.
3 Isobutyl 1 methylxanthine
External Link(s)
MeSHD015056
PubChem Compound3758
BindingDB15336
50027176
ChEBI34795
43253
CHEMBLCHEMBL275084
DrugBankDB07954
IUPHAR/BPS Guide to PHARMACOLOGY388
KEGGcpd:C13708
Therapeutic Target DatabaseD03ADX
D0GY2T
D0R6MT
ZINC3861807
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Hyperalgesia1722888CTD
2Ileal Diseases18306037CTD
3Jejunal Diseases18306037CTD
4Liver Cirrhosis, Experimental26806094CTD
5Substance Withdrawal Syndrome6184732CTD
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