AMBUTONIUM

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 4O677EQ77U

Structure
InChI Key KFZMXOLSYABOSE-UHFFFAOYSA-O
Smile CC[N+](C)(C)CCC(C(N)=O)(c1ccccc1)c1ccccc1
InChI
InChI=1S/C20H26N2O/c1-4-22(2,3)16-15-20(19(21)23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,4,15-16H2,1-3H3,(H-,21,23)/p+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H27N2O+
Molecular Weight 311.45
AlogP 2.94
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 43.09
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 23.0

Cross References

Resources Reference
ChEBI 135331
ChEMBL CHEMBL2110771
DrugCentral 149
FDA SRS 4O677EQ77U
PubChem 8277
SureChEMBL SCHEMBL11946672
ZINC ZINC000001700052
CONTENTS