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Substance Name: Diphemanil methylsulfate [USP]
RN: 62-97-5
UNII: W2ZG23MGYI
InChIKey: BREMLQBSKCSNNH-UHFFFAOYSA-M

Classification Codes

  • Anti-Asthmatic Agents
  • Autonomic Agents
  • Bronchodilator Agents
  • Parasympatholytics
  • Peripheral Nervous System Agents
  • Respiratory System Agents

Molecular Formula

  • C20-H24-N.C-H3-O4-S

Molecular Weight

  • 389.513
 
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Names and Synonyms

Name of Substance

  • Diphemanil methylsulfate
  • Diphemanil methylsulfate [USP]
  • Diphemanil metilsulfate [INN]

Synonyms

  • 4-(Diphenylmethylene)-1,1-dimethylpiperidinium methyl sulfate
  • 4-(Diphenylmethylene)-1,1-dimethylpiperidinium methylsulfate
  • Ban-Guard (Veterinary)
  • Demotil
  • Diphemanil
  • Diphemanil methosulfate
  • Diphemanil methyl sulfate
  • Diphemanil methylsulfate
  • Diphemanil methylsulphate
  • Diphemanil metilsulfate
  • Diphemanili metilsulfas
  • Diphemanili metilsulfas [INN-Latin]
  • Diphemanilum
  • Diphenmanil methyl sulfate
  • Diphenmanil methylsulfate
  • Diphenmethanil
  • Diphenmethanil methyl sulfate
  • Diphenmethanil methylsulfate
  • EINECS 200-552-4
  • Metilsulfate de diphemanil
  • Metilsulfate de diphemanil [INN-French]
  • Metilsulfato de difemanilo
  • Metilsulfato de difemanilo [INN-Spanish]
  • N,N-Dimethyl-4-piperidylidene-1,1-diphenylmethane methylsulfate
  • Nivelon
  • Nivelona
  • NSC 41725
  • p-(alpha-Phenylbenzylidene)-1,1-dimethylpiperidinium methyl sulfate
  • Prantal
  • Talpran
  • UNII-W2ZG23MGYI
  • Vagophemanil methyl sulfate
  • Variton

Systematic Names

  • Diphemanil metilsulfate
  • Piperidinium, 4-(diphenylmethylene)-1,1-dimethyl-, methyl sulfate

Mixture Name

  • Diathal (Veterinary)

Registry Numbers

CAS Registry Number

  • 62-97-5

FDA UNII

  • W2ZG23MGYI

System Generated Number

  • 0000062975

Molecular Formulas

Molecular Formula

  • C20-H24-N.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C20-H24-N
  • COMPONENT

Structure Descriptors

InChI

1S/C20H24N.CH4O4S/c1-21(2)15-13-19(14-16-21)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-5-6(2,3)4/h3-12H,13-16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

BREMLQBSKCSNNH-UHFFFAOYSA-M

Smiles

C(=C1\CC[N+](C)(C)CC1)(\c1ccccc1)c1ccccc1.O(S(=O)(=O)[O-])C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 42mg/kg (42mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Proceedings of the Society for Experimental Biology and Medicine. Vol. 78, Pg. 576, 1951.
guinea pig LD50 oral 404mg/kg (404mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 78, Pg. 576, 1951.
mouse LD50 intraperitoneal 47mg/kg (47mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 78, Pg. 576, 1951.
mouse LD50 intravenous 4012ug/kg (4.012mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 103, Pg. 100, 1955.
mouse LD50 oral 317mg/kg (317mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 78, Pg. 576, 1951.
rat LD50 intravenous 5mg/kg (5mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)"

SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE
Oyo Yakuri. Pharmacometrics. Vol. 23, Pg. 461, 1982.
rat LD50 oral 1107mg/kg (1107mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 78, Pg. 576, 1951.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 194.5 deg C   EXP
log P (octanol-water) 2.570 (none)   EST
Atmospheric OH Rate Constant 1.40E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.