Basic information
- CAS
148-32-3- Standard SMILES
CCN(CC)CC(C)(C)COC(=O)C(CO)c1ccccc1- InChIKey
ORXLOAFNULMXBG-UHFFFAOYSA-N- Molecular formula
- C18H29NO3
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.21474379
Overview
Amprotropine is a monocarboxylic acid.
Names & identifiers
- Preferred name
- Benzeneacetic acid, alpha-(hydroxymethyl)-, 3-(diethylamino)-2,2-dimethylpropyl Ester
- IUPAC
- [3-(diethylamino)-2,2-dimethylpropyl] 3-hydroxy-2-phenylpropanoate
- English name
- Amprotropine
- Molecular formula
- C18H29NO3
- Molecular weight
- 307.43
Names & synonyms
Amprotropine148-32-3Q1S268DPRSBenzeneacetic acid, alpha-(hydroxymethyl)-, 3-(diethylamino)-2,2-dimethylpropyl ester(3-(diethylamino)-2,2-dimethyl-propyl) 3-hydroxy-2-phenyl-propanoate[3-(diethylamino)-2,2-dimethyl-propyl] 3-hydroxy-2-phenyl-propanoateRefChem:112345UNII-Q1S268DPRS[3-(diethylamino)-2,2-dimethylpropyl] 3-hydroxy-2-phenylpropanoateAC1L1RF1AC1Q62RN(S)-amprotropine
Show more names
α-(Hydroxymethyl)benzeneacetic acid 3-(diethylamino)-2,2-dimethylpropylα-(Hydroxymethyl)benzeneacetic acid 3-(diethylamino)-2,2-dimethylpropyl esterBenzeneacetic acid, α-(hydroxymethyl)-, 3-(diethylamino)-2,2-dimethylpropyl ester
CHEBI:2685CHEMBL4302313DTXSID90933277ORXLOAFNULMXBG-UHFFFAOYSA-N3-(diethylamino)-2,2-dimethylpropyl 3-hydroxy-2-phenylpropanoate3-DIETHYLAMINO-2,2-DIMETHYLPROPYL TROPATEQ5673348Q27105766
Database identifiers
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- FDA UNII
- 1 S268DPRS · Q1S268DPRS
Chemistry & industry
Suppliers1 total
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Additional notes
DefinitionChEBI: Amprotropine is a monocarboxylic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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