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Substance Name: Plumbagin
RN: 481-42-5
UNII: YAS4TBQ4OQ
InChIKey: VCMMXZQDRFWYSE-UHFFFAOYSA-N

Note

  • A superoxide anion generator.

Molecular Formula

  • C11-H8-O3

Molecular Weight

  • 188.181
 

Classification Codes

  • Adjuvants, Immunologic
  • Anthelmintics
  • Anti-Infective Agents
  • Anticoagulants
  • Antinematodal Agents
  • Antineoplastic Agents
  • Antineoplastic Agents, Phytogenic
  • Antiparasitic Agents
  • Cardiotonic Agents
  • Cardiovascular Agents
  • Contraceptive Agents
  • Hematologic Agents
  • Immunologic Factors
  • Mutation Data
  • Protective Agents
  • Reproductive Control Agents
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • Plumbagin

Synonyms

  • 2-Methyl-5-hydroxy-1,4-naphthoquinone
  • 2-Methyljuglone
  • 4-08-00-02376 (Beilstein Handbook Reference)
  • 5-Hydroxy-2-methyl-1,4-naphthalenedione
  • 5-Hydroxy-2-methyl-1,4-naphthoquinone
  • AI3-38055
  • BRN 1870475
  • CCRIS 6671
  • EINECS 207-569-6
  • NSC 236613
  • NSC 688284
  • Plumbaein
  • Plumbagin
  • Plumbagine
  • Plumbagone
  • UNII-YAS4TBQ4OQ

Systematic Names

  • 1,4-Naphthalenedione, 5-hydroxy-2-methyl-
  • 1,4-Naphthalenedione, 5-hydroxy-2-methyl- (9CI)
  • 1,4-Naphthoquinone, 5-hydroxy-2-methyl-
  • 5-Hydroxy-2-methyl-1,4-naphthoquinone
  • Plumbagin

Registry Numbers

CAS Registry Number

  • 481-42-5

FDA UNII

  • YAS4TBQ4OQ

System Generated Number

  • 0000481425

Structure Descriptors

InChI

1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3

InChIKey

VCMMXZQDRFWYSE-UHFFFAOYSA-N

Smiles

c12c(C(C=C(C1=O)C)=O)c(ccc2)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 5mg/kg (5mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 8(1), Pg. 73, 1982.
mouse LD50 intravenous 7990ug/kg (7.99mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 48, Pg. 1128, 1996.
mouse LD50 oral 16mg/kg (16mg/kg)   Indian Journal of Experimental Biology. Vol. 18, Pg. 876, 1980.
rat LD50 oral 65mg/kg (65mg/kg)   Indian Journal of Medical Research. Vol. 65, Pg. 829, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 78.5 deg C   EXP
log P (octanol-water) 2.500 (none)   EST
Water Solubility 300 mg/L 15 EXP
Atmospheric OH Rate Constant 2.37E-11 cm3/molecule-sec 25 EST

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