CAS 84-79-7|Lapachol

Introduction:Basic information about CAS 84-79-7|Lapachol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameLapachol
CAS Number84-79-7Molecular Weight242.270
Density1.2±0.1 g/cm3Boiling Point390.1±42.0 °C at 760 mmHg
Molecular FormulaC15H14O3Melting Point141-143ºC(lit.)
MSDSChineseUSAFlash Point203.9±24.4 °C
Symbol
GHS07
Signal WordWarning

Names

NameLapachol
SynonymMore Synonyms

Lapachol BiologicalActivity

DescriptionLapachol is a naphthoquinone that was first isolated from Tabebuia avellanedae (Bignoniaceae). Lapachol shows anti-infection and antitumor activity[1]
Related CatalogResearch Areas >>CancerResearch Areas >>InfectionSignaling Pathways >>Anti-infection >>FungalSignaling Pathways >>Anti-infection >>Bacterial
References

[1]. Hidayat Hussain, Karsten Krohn,etc.Lapachol: an overview.ARKIVOC 2007 (ii) 145-171

Chemical & Physical Properties

Density1.2±0.1 g/cm3
Boiling Point390.1±42.0 °C at 760 mmHg
Melting Point141-143ºC(lit.)
Molecular FormulaC15H14O3
Molecular Weight242.270
Flash Point203.9±24.4 °C
Exact Mass242.094299
PSA54.37000
LogP4.08
Vapour Pressure0.0±0.9 mmHg at 25°C
Index of Refraction1.606
InChIKeyCWPGNVFCJOPXFB-UHFFFAOYSA-N
SMILESCC(C)=CCC1=C(O)c2ccccc2C(=O)C1=O
Water Solubilityethanol: soluble10mg/mL, clear, light yellow to yellow

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QL8750000
CHEMICAL NAME :
1,4-Naphthoquinone, 2-hydroxy-3-(3-methyl-2-butenyl)-
CAS REGISTRY NUMBER :
84-79-7
BEILSTEIN REFERENCE NO. :
2051889
LAST UPDATED :
199612
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C15-H14-O3
MOLECULAR WEIGHT :
242.29
WISWESSER LINE NOTATION :
L66 BV EVJ CQ D2UY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 17,1,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
487 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Gastrointestinal - hypermotility, diarrhea Skin and Appendages - dermatitis, other (after systemic exposure)
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 17,1,1970
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Tumorigenic - active as anti-cancer agent
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 26,570,1983 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
24 gm/kg/4W-I
TOXIC EFFECTS :
Blood - normocytic anemia Blood - changes in other cell count (unspecified)
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 17,1,1970
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
12 gm/kg/4W-I
TOXIC EFFECTS :
Related to Chronic Data - death
REFERENCE :
FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. (Bethesda, MD) V.1-46, 1942-87. Volume(issue)/page/year: 26,539,1967

Safety Information

Symbol
GHS07
Signal WordWarning
Hazard StatementsH302 + H312 + H332-H315-H319-H335
Precautionary StatementsP261-P280-P305 + P351 + P338
Personal Protective Equipmentdust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard CodesXn: Harmful;
Risk PhrasesR20/21/22
Safety Phrases26-36
RIDADRNONH for all modes of transport
WGK Germany3
RTECSQL8750000
HS Code2914690090

Customs

HS Code2914690090
Summary2914690090 other quinones。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

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Synonyms

1,4-Naphthalenedione, 2-hydroxy-3-(3-methyl-2-buten-1-yl)-
EINECS 201-563-7
MFCD00001679
2-Hydroxy-3-(3-méthyl-2-butèn-1-yl)-1,4-naphtoquinone
taiguicacid
Greenhartin
2-Hydroxy-3-(3-methyl-2-buten-1-yl)-1,4-naphthoquinone
Greenharten
2-Hydroxy-3-(3-methyl-2-buten-1-yl)-1,4-naphthochinone
Lapachol
Taigu Wood
1,4-Naphthoquinone, 2-hydroxy-3- (3-methyl-2-butenyl)-
1,4-Naphthalenedione, 2-hydroxy-3- (3-methyl-2-butenyl)-
2-hydroxy-3-(3-methylbut-2-en-1-yl)naphthalene-1,4-dione
Tecomin
2-Hydroxy-3-(3-methylbut-2-en-1-yl)-1,4-naphthoquinone
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