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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
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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
InChI=1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3InChIKey
VCMMXZQDRFWYSE-UHFFFAOYSA-NSmiles
CC1=CC(=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.