Dimenhydrinate

CAS Registry Number®

523-87-5
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CAS Name

Dimenhydrinate

Molecular Formula

C17H21NO.C7H7ClN4O2

Cite this Page

Dimenhydrinate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=523-87-5 (retrieved 2021-07-25) (CAS RN: 523-87-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    102-107 °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/C17H21NO.C7H7ClN4O2/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h3-12,17H,13-14H2,1-2H3;1-2H3,(H,9,10)

InChIKey

InChIKey=NFLLKCVHYJRNRH-UHFFFAOYSA-N

SMILES

C(OCCN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.O=C1C2=C(N(C)C(=O)N1C)N=C(Cl)N2

Canonical SMILES

O=C1C=2NC(Cl)=NC2N(C(=O)N1C)C.O(CCN(C)C)C(C=1C=CC=CC1)C=2C=CC=CC2

Other Names for this Substance

  • 1H-Purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl-, compd. with 2-(diphenylmethoxy)-N,N-dimethylethanamine (1:1)
  • Dimenhydrinate
  • Theophylline, 8-chloro-, compd. with 2-(diphenylmethoxy)-N,N-dimethylethylamine (1:1)
  • Ethylamine, 2-(diphenylmethoxy)-N,N-dimethyl-, compd. with 8-chlorotheophylline (1:1)
  • Ethanamine, 2-(diphenylmethoxy)-N,N-dimethyl-, compd. with 8-chloro-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1)

Deleted or Replaced CAS Registry Numbers

133294-22-1