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Substance Name: Oxolamine citrate
RN: 1949-20-8
UNII: K5X4XBR694
InChIKey: RBZIGQJSMCOHSS-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Reproductive Effect
  • Tumor Data

Molecular Formulas

  • C14-H19-N3-O.C6-H8-O7
  • C14-H19-N3-O.x-C6-H8-O7

Molecular Weight

  • 437.446
 
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Names and Synonyms

Name of Substance

  • Oxolamine citrate

Synonyms

  • 3-Phenyl-5-(beta-(diethylamino)ethyl)-1,2,4-oxadiazole citrate
  • 5-beta-Diethylaminoethyl-3-phenyl-1,2,4-oxadiazole citrate
  • AF 438
  • EINECS 217-760-6
  • Oxolamine citrate
  • SKF 9976
  • UNII-K5X4XBR694

Systematic Names

  • 1,2,4-Oxadiazole, 5-(2-(diethylamino)ethyl)-3-phenyl-, citrate
  • Oxolamine dihydrogen citrate

Registry Numbers

CAS Registry Number

  • 1949-20-8

FDA UNII

  • K5X4XBR694

Related Registry Number

  • 959-14-8 (Parent)

System Generated Number

  • 0001949208

Molecular Formulas

Molecular Formulas

  • C14-H19-N3-O.C6-H8-O7
  • C14-H19-N3-O.x-C6-H8-O7

Molecular Formula Fragments

  • C14-H19-N3-O
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C14H19N3O.C6H8O7/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-9H,3-4,10-11H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

RBZIGQJSMCOHSS-UHFFFAOYSA-N

Smiles

c1(c2ccccc2)nc(CC[NH+](CC)CC)on1.C([C@@](CC(=O)[O-])(C(O)=O)O)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 351mg/kg (351mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 16, Pg. 209, 1961.
mouse LD50 oral 650mg/kg (650mg/kg) KIDNEY, URETER, AND BLADDER: "INFLAMMATION, NECROSIS, OR SCARRING OF BLADDER" Therapie. Vol. 19, Pg. 631, 1964.
rat LD50 intraperitoneal 351mg/kg (351mg/kg)   French Medicament Patent Document. Vol. #683M,
rat LD50 oral 1650mg/kg (1650mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 16, Pg. 209, 1961.