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Substance Name: Tiocarlide [INN:BAN:DCF]
RN: 910-86-1
UNII: 43M23X81Y2
InChIKey: BWBONKHPVHMQHE-UHFFFAOYSA-N

Note

  • Antitubercular Agent.

Molecular Formula

  • C23-H32-N2-O2-S

Molecular Weight

  • 400.584
 

Classification Codes

  • Anti-Bacterial Agents
  • Anti-Infective Agents
  • Antitubercular Agents
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Names and Synonyms

Name of Substance

  • Thiocarlide
  • Tiocarlide [INN:BAN:DCF]

Synonyms

  • 4,4'-Diisoamyloxythiocarbanilide
  • 4-13-00-01187 (Beilstein Handbook Reference)
  • BRN 2546347
  • Datanil
  • DATC
  • Disocarban
  • EINECS 213-006-5
  • Isoxyl
  • N,N'-Bis(4-(3-methylbutoxy)phenyl)thiourea
  • Thiocarlide
  • Tiocarlid
  • Tiocarlida
  • Tiocarlida [INN-Spanish]
  • Tiocarlide
  • Tiocarlidum
  • Tiocarlidum [INN-Latin]
  • UNII-43M23X81Y2

Systematic Names

  • 4,4'-Bis(isopentyloxy)thiocarbanilide
  • Carbanilide, 4,4'-bis(isopentyloxy)thio-
  • Thiourea, N,N'-bis(4-(3-methylbutoxy)phenyl)- (9CI)
  • Tiocarlide

Registry Numbers

CAS Registry Number

  • 910-86-1

FDA UNII

  • 43M23X81Y2

Other Registry Number

  • 13006-82-1

System Generated Number

  • 0000910861

Structure Descriptors

InChI

1S/C23H32N2O2S/c1-17(2)13-15-26-21-9-5-19(6-10-21)24-23(28)25-20-7-11-22(12-8-20)27-16-14-18(3)4/h5-12,17-18H,13-16H2,1-4H3,(H2,24,25,28)

InChIKey

BWBONKHPVHMQHE-UHFFFAOYSA-N

Smiles

c1(NC(Nc2ccc(OCCC(C)C)cc2)=S)ccc(OCCC(C)C)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo intraperitoneal 250mg/kg (250mg/kg)   Acta Tuberculosea et Pneumologica Belgica. Vol. 54, Pg. 476, 1963.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 146 deg C   EXP
log P (octanol-water) 7.160 (none)   EST
Atmospheric OH Rate Constant 1.01E-10 cm3/molecule-sec 25 EST

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