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Substance Name: Captodiame [INN:BAN]
RN: 486-17-9
UNII: H93K9455DD
InChIKey: IZLPZXSZLLELBJ-UHFFFAOYSA-N

Note

  • Captodiamine represents an interesting strategy for achieving benzodiazepine substitution with a low risk of dependence or impairment of cognitive function.

Molecular Formula

  • C21-H29-N-S2

Molecular Weight

  • 359.599
 

Classification Codes

  • Drug / Therapeutic Agent
  • Human Data
  • Sedative
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Names and Synonyms

Name of Substance

  • Captodiame [INN:BAN]

Synonyms

  • 2-((p-(Butylthio)-alpha-phenylbenzyl)thio)-N,N-dimethylethylamine
  • 4-06-00-06672 (Beilstein Handbook Reference)
  • BRN 2625367
  • Captodiame
  • Captodiamin
  • Captodiamine
  • Captodiamo
  • Captodiamo [INN-Spanish]
  • Captodiamum
  • Captodiamum [INN-Latin]
  • Captodramin
  • Captodramine
  • Covatin
  • Covatix
  • EINECS 207-629-1
  • Kaptodiamin
  • Kaptodiamin [Czech]
  • N 68
  • p-Butylmercaptobenzhydryl-beta-dimethylamino-ethylsulphide
  • UNII-H93K9455DD
  • VUFB2350

Systematic Names

  • Captodiame
  • Ethanamine, 2-(((4-(butylthio)phenyl)phenylmethyl)thio)-N,N-dimethyl- (9CI)
  • Ethylamine, 2-((p-(butylthio)-alpha-phenylbenzyl)thio)-N,N-dimethyl-

Registry Numbers

CAS Registry Number

  • 486-17-9

FDA UNII

  • H93K9455DD

System Generated Number

  • 0000486179

Structure Descriptors

InChI

1S/C21H29NS2/c1-4-5-16-23-20-13-11-19(12-14-20)21(24-17-15-22(2)3)18-9-7-6-8-10-18/h6-14,21H,4-5,15-17H2,1-3H3

InChIKey

IZLPZXSZLLELBJ-UHFFFAOYSA-N

Smiles

c1([C@@H](c2ccccc2)SCCN(C)C)ccc(SCCCC)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TDLo oral 17mg/kg (17mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 154, 1958.
mouse LD50 intraperitoneal 116mg/kg (116mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Pharmacology and Experimental Therapeutics. Vol. 108, Pg. 201, 1953.
mouse LD50 intravenous 72mg/kg (72mg/kg) BEHAVIORAL: ATAXIA Cesko-Slovenska Farmacie. Vol. 12, Pg. 448, 1963.
mouse LD50 oral 1630mg/kg (1630mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 154, 1958.
mouse LD50 subcutaneous 1750mg/kg (1750mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 136, Pg. 440, 1962.
rat LD50 intraperitoneal 343mg/kg (343mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 154, 1958.
rat LD50 intraperitoneal 343mg/kg (343mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 154, 1958.
rat LD50 oral 3800mg/kg (3800mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 154, 1958.