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Substance Name: Phthiocol
RN: 483-55-6
UNII: 8R72C50E69
InChIKey: LULCPJWUGUVEFU-UHFFFAOYSA-N

Note

  • Antihemorrhagic antibiotic isolated from Mycobacterium tuberculosis.

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C11-H8-O3

Molecular Weight

  • 188.181
 
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Names and Synonyms

Name of Substance

  • Phthiocol

Synonyms

  • 2-Hydroxy-3-methyl-1,4-naphthoquinone
  • 2-Methyl-3-hydroxy-1,4-naphthoquinone
  • 3-Hydroxy-2-methyl-1,4-naphthoquinone
  • 4-08-00-02375 (Beilstein Handbook Reference)
  • BRN 1868473
  • EINECS 207-594-2
  • NSC 11897
  • Phthiocol
  • Phthiokol
  • Q 1212
  • UNII-8R72C50E69

Systematic Names

  • 1,4-Naphthalenedione, 2-hydroxy-3-methyl- (9CI)
  • 1,4-Naphthoquinone, 2-hydroxy-3-methyl-
  • 2-Hydroxy-3-methyl-1,4-naphthoquinone

Registry Numbers

CAS Registry Number

  • 483-55-6

FDA UNII

  • 8R72C50E69

System Generated Number

  • 0000483556

Structure Descriptors

InChI

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

InChIKey

LULCPJWUGUVEFU-UHFFFAOYSA-N

Smiles

c12c(C(C(O)=C(C1=O)C)=O)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LDLo intraperitoneal 100mg/kg (100mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 43, Pg. 125, 1940.
mouse LDLo intraperitoneal 150mg/kg (150mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 43, Pg. 125, 1940.
mouse LDLo oral 200mg/kg (200mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 43, Pg. 125, 1940.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 173.5 deg C   EXP
log P (octanol-water) 1.2 (none)   EXP
Water Solubility 4740 mg/L 25 EST
Vapor Pressure 1.38E-07 mm Hg 25 EST
Henry's Law Constant 3.82E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.45E-11 cm3/molecule-sec 25 EST

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