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Substance Name: Emedastine difumarate [USAN:USP:JAN]
RN: 87233-62-3
UNII: 42MB94QOSM
InChIKey: FWLKKPKZQYVAFR-LVEZLNDCSA-N

Classification Codes

  • Anti-Allergic
  • Antihistaminic, H1-Receptor
  • Asthma Prophylactic
  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H26-N4-O.2C4-H4-O4

Molecular Weight

  • 534.5626
 
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Names and Synonyms

Name of Substance

  • Emedastine
  • Emedastine difumarate [USAN:USP:JAN]

Synonyms

  • 1-(2-Ethoxyethyl)-2-(4-methyl-1-homopiperazinyl)benzimidazole difumarate
  • 1-(2-Ethoxyethyl)-2-(4-methylhexahydro-1H-1,4-diazepin-1-yl)benzimidazole fumarate (1:2)
  • 1-(2-Ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)benzimidazole fumarate (1:2)
  • 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-, (E)-2-butenedioate (1:2)
  • AL 3432A
  • AL-3432A
  • Benzimidazole, 1-(2-ethoxyethyl)-2-(4-methylhexahydro-1H-1,4-diazepin-1-yl)-, fumarate (1:2)
  • Emadine
  • Emedastine difumarate
  • KB-2413
  • KG-2413
  • LY 188695
  • Rapimine
  • UNII-42MB94QOSM

Systematic Name

  • 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-, (E)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 87233-62-3

FDA UNII

  • 42MB94QOSM

Related Registry Number

  • 87233-61-2 (Parent)

System Generated Number

  • 0087233623

Molecular Formulas

Molecular Formula

  • C17-H26-N4-O.2C4-H4-O4

Molecular Formula Fragments

  • C17-H26-N4-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H26N4O.2C4H4O4/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20;2*5-3(6)1-2-4(7)8/h4-5,7-8H,3,6,9-14H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

FWLKKPKZQYVAFR-LVEZLNDCSA-N

Smiles

CCOCCn1c(nc2ccccc12)N3CCCN(C)CC3.OC(=O)\C=C\C(=O)O.OC(=O)\C=C\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral 193mg/kg (193mg/kg) CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Oyo Yakuri. Pharmacometrics. Vol. 39, Pg. 209, 1990.
guinea pig LD50 oral 744mg/kg (744mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 34, Pg. 801, 1984.
mouse LD50 intravenous 93mg/kg (93mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Oyo Yakuri. Pharmacometrics. Vol. 39, Pg. 209, 1990.
mouse LD50 oral 628mg/kg (628mg/kg)   United States Patent Document. Vol. #4430343,
mouse LD50 subcutaneous 609mg/kg (609mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Oyo Yakuri. Pharmacometrics. Vol. 39, Pg. 209, 1990.
rat LD50 intravenous 72mg/kg (72mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Oyo Yakuri. Pharmacometrics. Vol. 39, Pg. 209, 1990.
rat LD50 oral 1854mg/kg (1854mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE
Oyo Yakuri. Pharmacometrics. Vol. 39, Pg. 209, 1990.
rat LD50 subcutaneous 643mg/kg (643mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Oyo Yakuri. Pharmacometrics. Vol. 39, Pg. 209, 1990.