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Substance Name: Diphenhydramine 4-sulfamoylbenzoate
RN: 60539-06-2
UNII: E0RKE8A64V
InChIKey: LTZVZSLVXMIDNA-UHFFFAOYSA-N

Molecular Formula

  • C17-H21-N-O.C7-H7-N-O4-S

Molecular Weight

  • 456.5602
 
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Names and Synonyms

Name of Substance

  • Diphenhydramine 4-sulfamoylbenzoate

Synonyms

  • 2-(Benzhydryloxy)-N,N-dimethylethan-1-amine 4-sulfamoylbenzoate
  • Benadol
  • Benzoic acid, 4-(aminosulfonyl)-, compd. with 2-(diphenylmethoxy)-N,N-dimethylethanamine (1:1)
  • Diphenhydramine 4-sulfamoylbenzoate
  • Diphenhydramine p-sulfonamide benzoate [WHO-DD]
  • Ethanamine, 2-(diphenylmethoxy)-N,N-dimethyl-, 4-(aminosulfonyl)benzoate
  • Neo-benadol
  • UNII-E0RKE8A64V

Registry Numbers

CAS Registry Number

  • 60539-06-2

FDA UNII

  • E0RKE8A64V

System Generated Number

  • 0060539062

Structure Descriptors

InChI

1S/C17H21NO.C7H7NO4S/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;8-13(11,12)6-3-1-5(2-4-6)7(9)10/h3-12,17H,13-14H2,1-2H3;1-4H,(H,9,10)(H2,8,11,12)

InChIKey

LTZVZSLVXMIDNA-UHFFFAOYSA-N

Smiles

CN(C)CCOC(c1ccccc1)c2ccccc2.NS(=O)(=O)c3ccc(cc3)C(=O)O