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Molecule record

ATROPINE

C17H23NO3

289.40 g/mol

2D structure for ATROPINE

Molecular properties

Formula
C17H23NO3
Molar mass
289.40 g·mol−1
Exact mass
289.1678 Da
7
1
4
49.80 Ų
1.8 (PubChem computed XLogP3-AA descriptor)
CAS
51-55-8
PubChem CID
174174

Interactions

Polarity
Often polar; exact polarity depends on size, substitution, and ionization state.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Alcohol
Alkene
Amine
Aromatic ring
Phenol

Physical properties

PropertyValueConditionsSource
Logp1.8PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • (+,-)-Tropyl tropate
  • (+-)-hyoscyamine
  • (+/-)-Atropine
  • 51-55-8
  • Atropen
  • Atropin
  • Atropin [German]
  • Atropin-flexiolen
Show all 21 synonyms
  • Atropina
  • Atropina [Italian]
  • Atropinol
  • Eyesules
  • Isopto-atropine
  • Npc209773
  • RefChem:1092872
  • Tropine tropate
  • Tropine, tropate (ester)
  • Troyl tropate
  • dl-Hyoscyamine
  • dl-Tropyltropate
  • hyoscyamine

Structure identifiers

Canonical SMILES
CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3
Isomeric SMILES
CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3
InChI
InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16?
InChIKey
RKUNBYITZUJHSG-PJPHBNEVSA-N
PubChem CID
174174

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

3350 cm−1broad O-H (simulated)
1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for ATROPINE; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for ATROPINE; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record