Benzeneacetic acid, α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide (1:1), (αS)-

CAS Registry Number®

6106-81-6

CAS Name

Benzeneacetic acid, α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide (1:1), (αS)-

Molecular Formula

C17H21NO5.BrH

Cite this Page

Benzeneacetic acid, α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide (1:1), (αS)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6106-81-6 (retrieved 2024-11-24) (CAS RN: 6106-81-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    135-138 °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/C17H21NO5.BrH/c1-18(21)13-7-11(8-14(18)16-15(13)23-16)22-17(20)12(9-19)10-5-3-2-4-6-10;/h2-6,11-16,19H,7-9H2,1H3;1H/t11-,12-,13-,14+,15-,16+,18?;/m1./s1

InChIKey

InChIKey=MGNNYKWRWHQLCR-FDJOISAFSA-N

SMILES

CN1(=O)[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].Br

Canonical SMILES

Br.O=C(OC1CC2C3OC3C(C1)N2(=O)C)C(C=4C=CC=CC4)CO

Other Names for this Substance

  • Benzeneacetic acid, α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide (1:1), (αS)-
  • Scopolamine, N-oxide, hydrobromide
  • 1αH,5αH-Tropan-3α-ol, 6β,7β-epoxy-, (-)-tropate (ester), 8-oxide, hydrobromide
  • Benzeneacetic acid, α-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, N-oxide, hydrobromide, [7(S)-(1α,2β,4β,5α,7β)]-
  • Benzeneacetic acid, α-(hydroxymethyl)-, (1α,2β,4β,5α,7β)-9-methyl-9-oxido-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, hydrobromide, (αS)-

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