Atromepine

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Basic information

CAS: 428-07-9
Standard SMILES: CN1[C@@H]2CC[C@H]1CC(OC(=O)[C@](C)(CO)c1ccccc1)C2
InChIKey: XZPAMMPYTOAFOU-MUQADHOPSA-N
Molecular formula: C18H25NO3
Average molar mass: 303.4 g/mol
Monoisotopic mass: 303.18344366

Overview

See also: Atromepine (annotation moved to).

Names & identifiers

Preferred name: Atromepine
IUPAC: [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-methyl-2-phenylpropanoate
English name: Levomepate
Molecular formula: C18H25NO3
Molecular weight: 303.4

Names & synonyms

AtromepineAtromepina428-07-9Levomepate3alpha-Tropanyl-2-methyl-2-phenylhydracrylateAtromepinumLevomepatDispanAtromepine [INN:DCF]Atromepinum [INN-Latin]Atromepina [INN-Spanish](S)-(-)-3alpha-Tropyl 2-methyltropat

Show more names

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-methyl-2-phenylpropanoate(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-methyl-2-phenyl-propanoate3-hydroxy-2-methyl-2-phenyl-propionic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) esterBenzeneacetic acid, α-(hydroxymethyl)-α-methyl-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (αS)-

UNII-9042592173LEVOMEPATE [MI]ATROMEPINE [INN]ATROMEPINE [MART.]SCHEMBL247877orb1698285CHEMBL3989474(S)-(-)-3alpha-Tropyl 3-hydroxy-2-methyl-2-phenylpropionat

Database identifiers

CAS: 428-07-9
PubChem CID: 20055097
DTXSID: DTXSID101023501
ChEMBL: CHEMBL3989474
UNII: 9042592173

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 49.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 393

Physicochemical properties

Boiling point: 440.1 · 440.1±45.0 °C(Predicted)
Density: 1.17 · 1.17±0.1 g/cm3(Predicted)
pka: 13.8 · 13.80±0.10(Predicted)
FDA UNII: 9042592173 · 9042592173
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 300 · H300-H330
Precautionary statements: 264 · P264-P270-P301+P310-P321-P330-P405-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word: Danger
Symbol(GHS): GHS06
Hazard statements: H300-H330
Precautionary statements: P264-P270-P301+P310-P321-P330-P405-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501

Related reactions

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Compound notes

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