(-)-Scopolamine

CAS Registry Number®

51-34-3

CAS Name

(-)-Scopolamine

Molecular Formula

C17H21NO4

Molecular Mass

303.35

Cite this Page

(-)-Scopolamine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=51-34-3 (retrieved 2024-11-24) (CAS RN: 51-34-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    55 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

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

InChIKey

InChIKey=STECJAGHUSJQJN-FWXGHANASA-N

SMILES

CN1[C@@]2([C@]3([C@](O3)([C@]1(C[C@@H](OC([C@H](CO)C4=CC=CC=C4)=O)C2)[H])[H])[H])[H]

Canonical SMILES

O=C(OC1CC2N(C)C(C1)C3OC32)C(C=4C=CC=CC4)CO

Other Names for this Substance

  • 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

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Deleted or Replaced CAS Registry Numbers

97991-84-9, 14797-94-5, 28901-63-5, 58670-87-4, 65319-33-7, 226562-00-1