(-)-Scopolamine

C17H21NO4CAS 51-34-3303.36 g/mol

NOOOHO
AlcoholEpoxideEsterEtherTertiary amine

Properties

Molecular formula
C17H21NO4
Molar mass
303.36 g/mol
Exact mass
303.1471 Da
Melting point
55 °C
logP
0.92Crippen estimate
Polar surface area
62.3 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
4
Stereocentres
R, s, S, S, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
51-34-3
SMILES
CN1[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12
InChIKey
STECJAGHUSJQJN-FWXGHANASA-N
InChI
InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15-,16+/m1/s1

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Names and synonyms

21 names · show all
  • Benzeneacetic acid, α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, (αS)-
  • 1αH,5αH-Tropan-3α-ol, 6β,7β-epoxy-, (-)-tropate (ester)
  • Benzeneacetic acid, α-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, [7(S)-(1α,2β,4β,5α,7β)]-
  • 3-Oxa-9-azatricyclo[3.3.1.02,4]nonane, benzeneacetic acid deriv.
  • Scopolamine
  • Atrochin
  • Atroquin
  • (-)-Hyoscine
  • Hyoscine
  • 9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol (-)-tropate
  • Scopine (-)-tropate
  • 6β,7β-Epoxy-3α-tropanyl S-(-)-tropate
  • 6,7-Epoxytropine tropate
  • Scopine tropate
  • SEE
  • l-Scopolamine
  • Transderm-scop
  • Scop
  • Scopoderm TTS
  • Tropic acid ester with scopine
  • Transcop

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Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

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