Probucol

Suppliers

Names

[ Name ]:
Probucol

[Synonym ]:
4,4'-(Isopropylidenedithio)bis[2,6-di-tert-butylphenol]
Biphenabid
Phenol, 4,4'-[(1-methylethylidene)bis(thio)]bis[2,6-bis(1,1-dimethylethyl)-
Lursell
EINECS 245-560-9
Probucol
2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenol
Acetone Bis(3,5-di-tert-butyl-4-hydroxyphenyl)mercaptole
Bisbid
[14C]-Probucol
Panavir
Sinlestal
Lurselle
4,4'-((1-methylethylidene)-bis(thio))-bis(2,6-bis(1,1-dimethylethyl)phenol)
4,4'-[(1-methylidene)bis(thio)]bis[2,6-bis(1,1-dimethylethyl)phenol]
4,4'-(propane-2,2-diyldisulfanediyl)bis(2,6-di-tert-butylphenol)
4,4'-[(1-Methylethylidene)bis(thio)]bis[2,6-bis(1,1-dimethylethyl)phenol]
Probucolum
MFCD00079281
Lesterol
Lorelco
Bisphenabid
4,4'-(isopropylidenedithio)-bis-(2,6-di-tert-butylphenol)
4,4'-(2,2-Propanediyldisulfanediyl)bis[2,6-bis(2-methyl-2-propanyl)phenol]

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
546.7±50.0 °C at 760 mmHg

[ Melting Point ]:
117 118ºC

[ Molecular Formula ]:
C₃₁H₄₈O₂S₂

[ Molecular Weight ]:
516.842

[ Flash Point ]:
264.9±28.8 °C

[ Exact Mass ]:
516.309570

[ PSA ]:
91.06000

[ LogP ]:
10.27

[ Vapour Pressure ]:
0.0±1.5 mmHg at 25°C

[ Index of Refraction ]:
1.574

[ Storage condition ]:
Desiccate at +4°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AL3705000

CHEMICAL NAME :: Acetone, bis(3,5-di-tert-butyl-4-hydroxyphenyl) mercaptole

CAS REGISTRY NUMBER :: 23288-49-5

LAST UPDATED :: 199712

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C31-H48-O2-S2

MOLECULAR WEIGHT :: 516.91

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - woman

DOSE/DURATION :: 3650 mg/kg/1Y-I

TOXIC EFFECTS :: Behavioral - general anesthetic Cardiac - cardiomegaly Cardiac - pulse rate increase, without fall in BP

REFERENCE :: NEJMAG New England Journal of Medicine. (Massachusetts Medical Soc., 10 Shattuck St., Boston, MA 02115) V.198- 1928- Volume(issue)/page/year: 326,1435,1992

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >5 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,1042,1990

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >5 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,1042,1990

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >800 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 40,833,1985

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >5 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,1042,1990

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Safety Phrases ]:
S23-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
AL3705000

[ HS Code ]:
29093090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

2,6-di-tert-butyl-4-sulfanylphenol
Acetone

DownStream

Glutaric acid
2,6-Di-tert-butyl-p-benzoquinone
2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)disulfanyl]phenol
2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)trisulfanyl]phenol
3,3',5,5'-Tetra-tert-butyldiphenoquinone
Succinobucol
Probucol Disuccinate
ELSIBUCOL
Succinic acid

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles

Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.

Chem. Res. Toxicol. 23 , 171-83, (2010)

Drug-induced liver injury is one of the main causes of drug attrition. The ability to predict the liver effects of drug candidates from their chemical structures is critical to help guide experimental...

Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).

J. Sci. Ind. Res. 65(10) , 808, (2006)

Drug-induced liver injury (DILI) is a significant concern in drug development due to the poor concordance between preclinical and clinical findings of liver toxicity. We hypothesized that the DILI typ...

Developing structure-activity relationships for the prediction of hepatotoxicity.

Chem. Res. Toxicol. 23 , 1215-22, (2010)

Drug-induced liver injury is a major issue of concern and has led to the withdrawal of a significant number of marketed drugs. An understanding of structure-activity relationships (SARs) of chemicals ...

Probucol-13C3
di-succinylprobucol
probucol spiroquinone
mono-succinylprobucol
Probucol Related Compound A
3-((2S,5S)-5-Allyl-4-methylenetetrahydrofuran-2-YL)propan-1-OL
1,3-Bis(1,1-dimethylethyl)-2-(2,4-dinitrophenoxy)benzene
Methyl 2-(1,2,3,4-tetrahydroisoquinolin-6-yloxy)acetate
2-[N-(1,3-thiazol-2-yl)6-chloropyridine-3-sulfonamido]acetamide
tert-butyl N-[3-(4-chlorobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamate
I+/--Cyclopropyl-I+/--(4-hydroxyphenyl)-5-pyrimidinemethanol
N-[(5-Iodo-2-furanyl)methyl]-beta-methyl-1-piperidineethanamine
4-Chloro-2-(fluoromethyl)-6-methoxy-5-nitropyrimidine
4'-((2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-EN-3-YL)methyl)-N-(4,5-dimethylisoxazol-3-YL)-2'-methyl-[1,1'-biphenyl]-2-sulfonamide
tert-butyl (2S)-2-(ethylamino)-3-phenylpropanoate

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