Metabutoxycaine
Basic information
- CAS
3624-87-1- Standard SMILES
CCCCOc1c(N)cccc1C(=O)OCCN(CC)CC- InChIKey
LJQWYEFHNLTPBZ-UHFFFAOYSA-N- Molecular formula
- C17H28N2O3
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.20999276
Overview
Metabutoxycaine is a benzoate ester.
Names & identifiers
- Preferred name
- Metabutoxycaine
- IUPAC
- 2-(diethylamino)ethyl 3-amino-2-butoxybenzoate
- English name
- Metabutoxycaine
- Molecular formula
- C17H28N2O3
- Molecular weight
- 308.42
Names & synonyms
Metabutoxycaine3624-87-1AMV9L2WT8KDTXSID401897872'-Diethylaminoethyl 3-amino-2-butoxybenzoate hydrochloride2-Butoxy-3-aminobenzoic acid beta-diethylaminoethyl ester hydrochlorideRefChem:156747DTXCID001122782-(diethylamino)ethyl 3-amino-2-butoxybenzoateEthanol, 2-diethylamino-, 3-amino-2-butoxybenzoateUNII-AMV9L2WT8K3-Amino-2-butoxybenzoic acid 2-diethylaminoethyl ester
Show more names
2-diethylaminoethyl 3-amino-2-butoxybenzoate2-diethylaminoethyl 3-azanyl-2-butoxy-benzoate
2'-Diethylaminoethyl 3-amino-2-butoxybenzoatebeta-Diethylaminoethyl 2-butoxy-3-aminobenzoate2-Butoxy-3-aminobenzoic acid beta-diethylaminoethyl esterBENZOIC ACID, 3-AMINO-2-BUTOXY-, 2-(DIETHYLAMINO)ETHYL ESTERMETABUTOXYCAINE [MI]SCHEMBL25778orb1942946CHEMBL2110975
Database identifiers
- CAS
3624-87-1- PubChem CID
- 19247
- DTXSID
DTXSID40189787- ChEMBL
CHEMBL2110975- ChEBI
CHEBI:135313- UNII
- AMV9L2WT8K
- Nikkaji
- J8.190F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 64.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- FDA UNII
- 9 L2WT8K · AMV9L2WT8K
Chemistry & industry
Applications
UsesMetabutoxycaine is a local agent that can suppress or relieve pain[1].
Additional notes
DefinitionChEBI: Metabutoxycaine is a benzoate ester.
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Related reactions
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Compound notes
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