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Substance Name: Tolciclate [USAN:INN:JAN]
RN: 50838-36-3
UNII: T3TZ02X2AZ
InChIKey: CANCCLAKQQHLNK-LSDHHAIUSA-N

Classification Codes

  • Anti-Infective Agents
  • Antifungal
  • Antifungal Agents
  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H21-N-O-S

Molecular Weight

  • 323.4579
 
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Names and Synonyms

Name of Substance

  • Tolciclate
  • Tolciclate [USAN:INN:JAN]

Synonyms

  • 1,2,3,4-Tetrahydro-1,4-methanonaphthalen-6-yl N-methyl-N-(m-tolyl)carbamothioate
  • BRN 2774764
  • EINECS 256-792-5
  • K 9147
  • KC 9147
  • O-(1,2,3,4-Tetrahydro-1,4-methanonaphthalen-6-yl) m,N-dimethylthiocarbanilate
  • O-(1,2,3,4-Tetrahydro-1,4-methanonaphthalen-6-yl)-m,N-dimethyl-thio-carbanilate
  • O-(1,4-Methano-1,2,3,4-tetrahydro-6-naphthyl)-N-methyl-N-(m-tolyl)-thiocarbamate
  • O-(5,6,7,8-Tetrahydro-5,8-methano-2-naphthyl)-N-methyl-N-(m-methylphenyl)thiocarbamate
  • Tolciclate
  • Tolciclato
  • Tolciclato [DCIT]
  • Tolciclatum
  • Tolciclatum [INN-Latin]
  • UNII-T3TZ02X2AZ

Systematic Names

  • Carbamothioic acid, methyl(3-methylphenyl)-, O-(1,2,3,4-tetrahydro-1,4-methanonaphthalen-6-yl) ester
  • Carbamothioic acid, N-methyl-N-(m-tolyl)-, (1,2,3,4-tetrahydro-1,4- methanonaphthalen-6-yl) ester
  • Tolciclate

Registry Numbers

CAS Registry Number

  • 50838-36-3

FDA UNII

  • T3TZ02X2AZ

System Generated Number

  • 0050838363

Structure Descriptors

InChI

1S/C20H21NOS/c1-13-4-3-5-16(10-13)21(2)20(23)22-17-8-9-18-14-6-7-15(11-14)19(18)12-17/h3-5,8-10,12,14-15H,6-7,11H2,1-2H3/t14-,15+/m0/s1

InChIKey

CANCCLAKQQHLNK-LSDHHAIUSA-N

Smiles

CN(C(=S)Oc1ccc2[C@H]3CC[C@H](C3)c2c1)c4cccc(C)c4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 124mg/kg (124mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Kiso to Rinsho. Clinical Report. Vol. 15, Pg. 2399, 1981.
dog LD50 oral 5gm/kg (5000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 26, Pg. 769, 1976.
mouse LD50 intraperitoneal > 420mg/kg (420mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 15, Pg. 2399, 1981.
mouse LD50 intravenous 80200ug/kg (80.2mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Kiso to Rinsho. Clinical Report. Vol. 15, Pg. 2399, 1981.
mouse LD50 oral > 1800mg/kg (1800mg/kg)   Drugs in Japan Vol. -, Pg. 881, 1995.
mouse LD50 subcutaneous > 420mg/kg (420mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 15, Pg. 2399, 1981.
rabbit LD50 intravenous 94800ug/kg (94.8mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE
Kiso to Rinsho. Clinical Report. Vol. 15, Pg. 2399, 1981.
rabbit LD50 oral > 1gm/kg (1000mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 15, Pg. 2399, 1981.
rat LD50 intraperitoneal > 420mg/kg (420mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 15, Pg. 2399, 1981.
rat LD50 intravenous 151mg/kg (151mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Kiso to Rinsho. Clinical Report. Vol. 15, Pg. 2399, 1981.
rat LD50 oral > 1800mg/kg (1800mg/kg)   Drugs in Japan Vol. -, Pg. 881, 1995.
rat LD50 subcutaneous > 1gm/kg (1000mg/kg)   Kiso to Rinsho. Clinical Report. Vol. 15, Pg. 2399, 1981.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 93 deg C   EXP
log P (octanol-water) 6.490 (none)   EST
Atmospheric OH Rate Constant 2.06E-10 cm3/molecule-sec 25 EST

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