Basic information
- CAS
100-91-4- Standard SMILES
CC1CC(OC(=O)C(O)c2ccccc2)CC(C)(C)N1C- InChIKey
QSAVEGSLJISCDF-UHFFFAOYSA-N- Molecular formula
- C17H25NO3
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.18344366
Overview
2-hydroxy-2-phenylacetic acid (1,2,2,6-tetramethyl-4-piperidinyl) ester is a member of piperidines.
Names & identifiers
- Preferred name
- Eucatropine
- IUPAC
- (1,2,2,6-tetramethylpiperidin-4-yl) 2-hydroxy-2-phenylacetate
- English name
- eucatropine
- Molecular formula
- C17H25NO3
- Molecular weight
- 291.388
Names & synonyms
eucatropine100-91-4EuphthalmineeucatropinEucatropinaEucatropinumEucatropine [INN:BAN]Eucatropinum [INN-Latin]Eucatropina [INN-Spanish]UNII-4SPJ105W8EEucatropine dl-form4SPJ105W8E
Show more names
(1,2,2,6-tetramethylpiperidin-4-yl) 2-hydroxy-2-phenylacetateα-Hydroxybenzeneacetic acid 1,2,2,6-tetramethyl-4-piperidinyl(1,2,2,6-tetramethylpiperidin-4-yl) 2-hydroxy-2-phenyl-ethanoate2-hydroxy-2-phenyl-acetic acid (1,2,2,6-tetramethyl-4-piperidyl) esterBenzeneacetic acid, α-hydroxy-, 1,2,2,6-tetramethyl-4-piperidinyl ester
EINECS 202-900-0EUCATROPINE [INN]DTXSID1048465EUCATROPINE DL-FORM [MI]Benzeneacetic acid, .alpha.-hydroxy-, 1,2,2,6-tetramethyl-4-piperidinyl ester1,2,2,6-Tetramethyl-4-piperidyl mandelateEucatropinum (INN-Latin)Eucatropina (INN-Spanish)
Database identifiers
- CAS
100-91-4- PubChem CID
- 7534
- DTXSID
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 363
Experimental & physicochemical properties
Collision Cross Section164.57 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 113 °C · 113 °C
- Boiling point
- 388.7 · 388.7±42.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- 12.1 · 12.10±0.20(Predicted)
- FDA UNII
- 4 SPJ105W8E · 4SPJ105W8E
Chemistry & industry
Applications
UsesAnticholinergic.
Suppliers4 total
BOC Sciences16314854226; +8616314854226 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: 2-hydroxy-2-phenylacetic acid (1,2,2,6-tetramethyl-4-piperidinyl) ester is a member of piperidines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…