Lachesine
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Basic information
- CAS
15209-00-4- Standard SMILES
CC[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1- InChIKey
XRJIGJFEKPXBTD-UHFFFAOYSA-N- Molecular formula
- C20H26NO3+
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.19126869
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- Lachesine
- IUPAC
- ethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazanium
- English name
- lachesine
- Molecular formula
- C20H26NO3+
- Molecular weight
- 328.42534
Names & synonyms
Lachesine15209-00-4Lachesine ionLachesine cation676774V4XXN-Ethyl-N,N-dimethyl-2-(benziloyloxy)ethylammoniumDTXSID40164953RefChem:152022DTXCID0087444Lachesinethyl-[2-(2-hydroxy-2,2-diphenylacetyl)oxyethyl]-dimethylazaniumUNII-676774V4XX
Show more names
orb1702119CHEMBL2110848AKOS040746973T25595Q27264078Ethanaminium, N-ethyl-2-((hydroxydiphenylacetyl)oxy)-N,N-dimethyl-N-Ethyl-2-{[hydroxydi(phenyl)acetyl]oxy}-N,N-dimethylethan-1-aminium
Database identifiers
- CAS
15209-00-4- PubChem CID
- 14416
- DTXSID
DTXSID40164953- ChEMBL
CHEMBL2110848- UNII
- 676774V4XX
- Nikkaji
- J351.549D
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 1
- Complexity
- 378
Physicochemical properties
- FDA UNII
- 676774 V4XX · 676774V4XX
Related reactions
0 records
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Compound notes
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