Basic information
- CAS
114173-36-3- Standard SMILES
CN1C2CCC1CC(OC(=O)C(O)c1ccccc1)C2- InChIKey
ZTVIKZXZYLEVOL-UHFFFAOYSA-N- Molecular formula
- C16H21NO3
- Average molar mass
- 275.34 g/mol
- Monoisotopic mass
- 275.15214353
Overview
See also: Homatropine (annotation moved to).
Names & identifiers
- Preferred name
- (8-Methyl-8-Azabicyclo(3.2.1)Octan-3-Yl) 2-Hydroxy-2-Phenylacetate
- IUPAC
- (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate
- English name
- homatropine
- Molecular formula
- C16H21NO3
- Molecular weight
- 275.34
Names & synonyms
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate(8-Methyl-8-Azabicyclo(3.2.1)Octan-3-Yl) 2-Hydroxy-2-PhenylacetateRefChem:1050732HomotropineDL-Homatropine hydrobromideNSC60600HomatropinHomoatropineMandelytropeineMandelyltropeine114173-36-38-Methyl-8-azabicyclo[3.2.1]oct-3-yl hydroxy(phenyl)acetate
Show more names
ZTVIKZXZYLEVOL-UHFFFAOYSA-NBenzeneacetic acid, α-hydroxy-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl esterBenzeneacetic acid, α-hydroxy-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester (9CI)
Mandelic acid, 3d-tropanyl esterBenzeneacetic acid, .alpha.-hydroxy-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-(.+/-.)-NSC-60600Tropine, mandelate(.+/-.)-HomatropineLopac0_000592SCHEMBL23970CHEMBL1237117
Database identifiers
- CAS
114173-36-3
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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