Myristalkonium ion
Basic information
- CAS
16287-71-1- Standard SMILES
CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1- InChIKey
WNBGYVXHFTYOBY-UHFFFAOYSA-N- Molecular formula
- C23H42N+
- Average molar mass
- 332.6 g/mol
- Monoisotopic mass
- 332.33172534
Names & identifiers
- Preferred name
- Myristalkonium ion
- IUPAC
- benzyl-dimethyl-tetradecylazanium
- English name
- zephiramine
- Molecular formula
- C23H42N+
- Molecular weight
- 332.6
Names & synonyms
BenzyldimethyltetradecylammoniumMyristalkoniumZephiramine ionZephiramine cationMyristalkonium ionMyristalkonium cationMyristyl-benzalkoniumMIRISTALKONIUMtetradecylbenzyldimethylammoniumI5M8YK41GKDTXSID3048360BENZYLDIMETHYLTETRADECYLAZANIUM
Show more names
RefChem:1090088DTXCID5028031Zephiramine16287-71-1benzyl-dimethyl-tetradecylazanium5285-67-6Ammonium, benzyldimethyltetradecyl-N-Benzyl-N,N-dimethyltetradecan-1-aminium
Database identifiers
- CAS
16287-71-1、5285-67-6- PubChem CID
- 8756
- DTXSID
DTXSID3048360- ChEMBL
CHEMBL112719、CHEMBL1180074- UNII
- I5M8YK41GK
- EC Number
- 226-123-1
- Nikkaji
- J231.917I
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 15
- Heavy atoms
- 24
- Formal charge
- 1
- Complexity
- 265
Experimental & physicochemical properties
DrugsPharmaceuticals
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section205.7 Ų [M]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- FDA UNII
- 5 M8YK41GK · I5M8YK41GK
Chemistry & industry
Pharmacology
ATC Code
R - Respiratory system
QR - Respiratory system
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Compound notes
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