Demecarium bromide

CAS Registry Number®

56-94-0
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CAS Name

Demecarium bromide

Molecular Formula

C32H52N4O4.2Br

Cite this Page

Demecarium bromide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=56-94-0 (retrieved 2024-06-21) (CAS RN: 56-94-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    162-167 °C (decomp)

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C32H52N4O4.2BrH/c1-33(31(37)39-29-21-17-19-27(25-29)35(3,4)5)23-15-13-11-9-10-12-14-16-24-34(2)32(38)40-30-22-18-20-28(26-30)36(6,7)8;;/h17-22,25-26H,9-16,23-24H2,1-8H3;2*1H/q+2;;/p-2

InChIKey

InChIKey=YHKBUDZECQDYBR-UHFFFAOYSA-L

SMILES

O(C(N(CCCCCCCCCCN(C(OC1=CC([N+](C)(C)C)=CC=C1)=O)C)C)=O)C2=CC([N+](C)(C)C)=CC=C2.[Br-]

Canonical SMILES

[Br-].O=C(OC1=CC=CC(=C1)[N+](C)(C)C)N(C)CCCCCCCCCCN(C(=O)OC2=CC=CC(=C2)[N+](C)(C)C)C

Other Names for this Substance

  • Benzenaminium, 3,3′-[1,10-decanediylbis[(methylimino)carbonyloxy]]bis[N,N,N-trimethyl-, bromide (1:2)
  • Ammonium, (m-hydroxyphenyl)trimethyl-, bromide, decamethylenebis[methylcarbamate] (2:1)
  • (m-Hydroxyphenyl)trimethylammonium bromide decamethylenebis[methylcarbamate]
  • Benzenaminium, 3,3′-[1,10-decanediylbis[(methylimino)carbonyloxy]]bis[N,N,N-trimethyl-, dibromide
  • BC 48

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