Molecular Identity
Miramistin ion
benzyl-dimethyl-[3-(tetradecanoylamino)propyl]azanium
PubChem CID: 72950
2D Structure
Properties
C26H47N2O+
Molecular Formula
403.70
Molecular Weight
g/mol
403.3688
Exact Mass
Da
7.7
XLogP
Above Lipinski threshold
29.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
1
H-Bond Acceptors
388
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=CC=C1Isomeric SMILES
SMILES: CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=CC=C1Synonyms(17)
Miramistin ionBKH-14Miramistin ion [MART.]91481-38-8Miramistin ion [WHO-DD]UNII-62S6VPY15U62S6VPY15UBenzenemethanaminium, N,N-dimethyl-N-(3-((1-oxotetradecyl)amino)propyl)-MIRAMISTIN ION (MART.)RefChem:159030N-Benzyl-N,N-dimethyl-3-tetradecanamidopropan-1-aminiumbenzyl-dimethyl-[3-(tetradecanoylamino)propyl]azaniumSCHEMBL2238282CHEMBL4650936benzyl-dimethyl-[3-(tetradecanoylamino)propyl]ammonium
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Miramistin ion
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