Basic information
- CAS
57818-92-5- Standard SMILES
CCN(CC)CCCCCCCCOC(=O)c1cc(OC)c(OC)c(OC)c1- InChIKey
IBQMHBGFMLHHLE-UHFFFAOYSA-N- Molecular formula
- C22H37NO5
- Average molar mass
- 395.5 g/mol
- Monoisotopic mass
- 395.26717328
Overview
3,4,5-trimethoxybenzoic acid 8-(diethylamino)octyl ester is a trihydroxybenzoic acid.
Names & identifiers
- Preferred name
- 8-(N,N-diethylamino)octyl-3,4,5-trimethoxybenzoate
- IUPAC
- 8-(diethylamino)octyl 3,4,5-trimethoxybenzoate
- English name
- TMB 8
- Molecular formula
- C22H37NO5
- Molecular weight
- 395.53
Names & synonyms
57818-92-58-(N,N-Diethylamino)octyl-3,4,5-trimethoxybenzoateT9NF33OQ5TDTXSID702065323,4,5-Trimethoxybenzoic acid, 8-(diethylamino)octyl esterRefChem:106860DTXCID001290238-(Diethylamino)octyl 3,4,5-trimethoxybenzoateTMB-8TMB 8TM-8UNII-T9NF33OQ5T
Show more names
3,4,5-Trimethoxybenzoic acid 8-(diethylamino)octyl esterBenzoic acid, 3,4,5-trimethoxy-, 8-(diethylamino)octyl ester
Lopac-861804Lopac0_000022BSPBio_001503CHEMBL258764GTPL4323SCHEMBL2173737CHEBI:107633HMS1791L05
Database identifiers
- CAS
57818-92-5- PubChem CID
- 5494
- DTXSID
DTXSID70206532- ChEMBL
CHEMBL258764- ChEBI
CHEBI:107633- UNII
- T9NF33OQ5T
- Nikkaji
- J23.635G
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 16
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- FDA UNII
- 9 NF33OQ5T · T9NF33OQ5T
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationA class of drugs that act by selective inhibition of calcium influx through cellular membranes.
Additional notes
DefinitionChEBI: 3,4,5-trimethoxybenzoic acid 8-(diethylamino)octyl ester is a trihydroxybenzoic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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