MIRAMISTIN ION

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Synonyms
Status
Molecule Category Free-form
UNII 62S6VPY15U

Structure

InChI Key YEAYHNRJRKXWNV-UHFFFAOYSA-O
Smiles CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)Cc1ccccc1
InChI
InChI=1S/C26H46N2O/c1-4-5-6-7-8-9-10-11-12-13-17-21-26(29)27-22-18-23-28(2,3)24-25-19-15-14-16-20-25/h14-16,19-20H,4-13,17-18,21-24H2,1-3H3/p+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H47N2O+
Molecular Weight 403.68
AlogP 6.47
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 18.0
Polar Surface Area 29.1
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 29.0

Cross References

Resources Reference
ChEMBL CHEMBL4650936
FDA SRS 62S6VPY15U
CONTENTS