Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Bevonium metilsulfate [INN:BAN]
RN: 5205-82-3
UNII: UWC15E373Z
InChIKey: AXKJGGRSAVLXTE-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N-O3.C-H3-O4-S

Molecular Weight

  • 465.5639
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Bevonium methyl sulfate
  • Bevonium metilsulfate [INN:BAN]

Synonyms

  • 2-(Hydroxymethyl)-1,1-dimethylpiperidinium methyl sulfate benzilate
  • Acabel
  • alpha-Phenylmandelic acid N,N-dimethylpiperidinium-2-methyl ester methylsulfate
  • Benzilic acid ester with 2-(hydroxymethyl)-1,1-dimethylpiperidinium methyl sulfate
  • Benzilsaeure-(N,N-dimethyl-2-hydroxymethyl-piperidinium)-ester-methylsulfat
  • Benzilsaeure-(N,N-dimethyl-2-hydroxymethyl-piperidinium)-ester-methylsulfat [German]
  • Bevonii metilsulfas
  • Bevonii metilsulfas [INN-Latin]
  • Bevonium methyl sulfate
  • Bevonium methylsulfate
  • Bevonium methylsulphate
  • Bevonium metilsulfate
  • CG 201
  • EINECS 226-001-8
  • Ester d'acide benzilique et du 1-methylsulfate de 1,1-dimethyl-(2-hydroxymethyl)piperidinium
  • Ester del acido bencilico del 1,1-dimetil-2-oximetil-piperidinio-metilsulfato
  • Ester del acido bencilico del 1,1-dimetil-2-oximetil-piperidinio-metilsulfato [Spanish]
  • L-99
  • Metilsulfate de bevonium
  • Metilsulfate de bevonium [INN-French]
  • Metilsulfato de bevonio
  • Metilsulfato de bevonio [INN-Spanish]
  • Piperidinium, 2-(((hydroxydiphenylacetyl)oxy)methyl)-1,1-dimethyl-, methyl sulfate (salt)
  • Piperidinium, 2-(hydroxymethyl)-1,1-dimethyl-, methyl sulfate, benzilate
  • Piribenzil methyl sulfate
  • UNII-UWC15E373Z

Systematic Names

  • 2-(Hydroxymethyl)-1,1-dimethylpiperidinium methyl sulfate benzilate
  • Bevonium metilsulfate
  • Piperidinium, 2-hydroxymethyl-1,1-dimethyl-, methanesulfonate, benzilate

Registry Numbers

CAS Registry Number

  • 5205-82-3

FDA UNII

  • UWC15E373Z

Other Registry Number

  • 23277-37-4

Related Registry Number

  • 33371-53-8 (Parent)

System Generated Number

  • 0005205823

Molecular Formulas

Molecular Formula

  • C22-H28-N-O3.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C22-H28-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C22H28NO3.CH4O4S/c1-23(2)16-10-9-15-20(23)17-26-21(24)22(25,18-11-5-3-6-12-18)19-13-7-4-8-14-19;1-5-6(2,3)4/h3-8,11-14,20,25H,9-10,15-17H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

AXKJGGRSAVLXTE-UHFFFAOYSA-M

Smiles

C[N+]1(CCCCC1COC(=O)C(c2ccccc2)(c3ccccc3)O)C.COS(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral 1gm/kg (1000mg/kg) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT
Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 901, 1966.
guinea pig LD50 oral 3860mg/kg (3860mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE
Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 901, 1966.
guinea pig LD50 subcutaneous 182mg/kg (182mg/kg) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT
Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 901, 1966.
mouse LD50 intraperitoneal 112mg/kg (112mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 11, Pg. 1423, 1969.
mouse LD50 intravenous 17400ug/kg (17.4mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE
Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 901, 1966.
mouse LD50 oral 1360mg/kg (1360mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

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

BEHAVIORAL: EXCITEMENT
Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 901, 1966.
mouse LD50 subcutaneous 436mg/kg (436mg/kg) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 901, 1966.
rabbit LD50 intramuscular 500mg/kg (500mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE
Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 901, 1966.
rabbit LD50 oral 1gm/kg (1000mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 901, 1966.
rat LD50 intraperitoneal 222mg/kg (222mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 11, Pg. 1423, 1969.
rat LD50 intravenous 26mg/kg (26mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

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

BEHAVIORAL: EXCITEMENT
Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 901, 1966.
rat LD50 oral 5080mg/kg (5080mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

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

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Arzneimittel-Forschung. Drug Research. Vol. 16, Pg. 901, 1966.
rat LD50 subcutaneous 2400mg/kg (2400mg/kg)   Toxicology and Applied Pharmacology. Vol. 18, Pg. 185, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 134.5 deg C   EXP
log P (octanol-water) 1.370 (none)   EST
Atmospheric OH Rate Constant 5.54E-11 cm3/molecule-sec 25 EST

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