(-)-Atropine

CAS Registry Number®

101-31-5
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CAS Name

(-)-Atropine

Molecular Formula

C17H23NO3

Molecular Mass

289.37

Cite this Page

(-)-Atropine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=101-31-5 (retrieved 2024-06-25) (CAS RN: 101-31-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    108.5 °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/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-/m1/s1

InChIKey

InChIKey=RKUNBYITZUJHSG-FXUDXRNXSA-N

SMILES

O(C([C@H](CO)C1=CC=CC=C1)=O)[C@@H]2C[C@]3(N(C)[C@@](C2)(CC3)[H])[H]

Canonical SMILES

O=C(OC1CC2N(C)C(CC2)C1)C(C=3C=CC=CC3)CO

Other Names for this Substance

  • Benzeneacetic acid, α-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (αS)-
  • H,5αH-Tropan-3α-ol, (-)-tropate (ester)
  • Benzeneacetic acid, α-(hydroxymethyl)-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, [3(S)-endo]-
  • Tropic acid, 1αH,5αH-tropan-3α-yl ester, (-)-
  • (-)-Atropine

Deleted or Replaced CAS Registry Numbers

1892-81-5, 8000-07-5, 28905-40-0, 38411-64-2, 47170-56-9, 1891070-00-0

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