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Substance Name: Probucol [USAN:USP:INN:BAN:JAN]
RN: 23288-49-5
UNII: P3CTH044XJ
InChIKey: FYPMFJGVHOHGLL-UHFFFAOYSA-N

Note

  • A drug used to lower LDL and HDL cholesterol yet has little effect on serum-triglyceride or VLDL cholesterol. (From Martindale, The Extra Pharmacopoeia, 30th ed, p993).

Molecular Formula

  • C31-H48-O2-S2

Molecular Weight

  • 516.8502
 

Classification Codes

  • Anticholesteremic Agents
  • Antihyperlipidemic
  • Antimetabolites
  • Antioxidants
  • Drug / Therapeutic Agent
  • Human Data
  • Hypolipidemic Agents
  • Lipid Regulating Agents
  • Protective Agents

Names and Synonyms

Name of Substance

  • Probucol
  • Probucol [USAN:USP:INN:BAN:JAN]

MeSH Heading

  • Probucol

Synonyms

  • 4,4'-(Isopropylidenedithio)bis(2,6-di-tert-butylphenol)
  • Acetone bis(3,5-di-tert-butyl-4-hydroxyphenyl) mercaptole
  • Biphenabid
  • Bisbid
  • Bisphenabid
  • BRN 2026253
  • CCRIS 7510
  • DH 581
  • DH-581
  • EINECS 245-560-9
  • Lesterol
  • Lorelco
  • Lursell
  • Lurselle
  • NSC 652160
  • NSC 86225
  • Phenol, 4,4'-((1-methylethylidene)bis(thio))bis(2,6-bis(1,1-dimethylethyl)-
  • Probucol
  • Probucolum
  • Probucolum [INN-Latin]
  • UNII-P3CTH044XJ

Systematic Names

  • Acetone, bis(3,5-di-tert-butyl-4-hydroxyphenyl) mercaptole
  • Phenol, 4,4'-((1-methylethylidene)bis(thio))bis(2,6-bis(1,1-dimethylethyl)-
  • Probucol

Registry Numbers

CAS Registry Number

  • 23288-49-5

FDA UNII

  • P3CTH044XJ

System Generated Number

  • 0023288495

Structure Descriptors

InChI

1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3

InChIKey

FYPMFJGVHOHGLL-UHFFFAOYSA-N

Smiles

CC(C)(C)c1cc(cc(c1O)C(C)(C)C)SC(C)(C)Sc2cc(c(c(c2)C(C)(C)C)O)C(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Farmaco, Edizione Scientifica. Vol. 40, Pg. 833, 1985.
mouse LD50 oral > 5gm/kg (5000mg/kg)   Drugs in Japan Vol. -, Pg. 1042, 1990.
rabbit LD50 oral > 5gm/kg (5000mg/kg)   Drugs in Japan Vol. -, Pg. 1042, 1990.
rat LD50 oral > 5gm/kg (5000mg/kg)   Drugs in Japan Vol. -, Pg. 1042, 1990.
women TDLo oral 3650mg/kg/1Y- (3650mg/kg) CARDIAC: CARDIOMEGALY

BEHAVIORAL: GENERAL ANESTHETIC

CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP
New England Journal of Medicine. Vol. 326, Pg. 1435, 1992.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 125 deg C   EXP
log P (octanol-water) 10.91 (none)   EST
Atmospheric OH Rate Constant 8.66E-11 cm3/molecule-sec 25 EST

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