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Substance Name: Santonin [JAN:NF]
RN: 481-06-1
UNII: 1VL8J38ERO
InChIKey: XJHDMGJURBVLLE-BOCCBSBMSA-N
Note
- Anthelmintic isolated from the dried unexpanded flower heads of Artemisia maritima and other species of Artemisia found principally in Russian and Chinese Turkestan and the Southern Ural region. (From Merck, 11th ed.)
Molecular Formula
- C15-H18-O3
Molecular Weight
- 246.3042
- All
- Classifications
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- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
- Anthelmintics
- Anti-Infective Agents
- Antinematodal Agents
- Antiparasitic Agents
- Human Data
- Natural Product
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Names and Synonyms
Name of Substance
- Santonin
- Santonin [JAN:NF]
MeSH Heading
- Santonin
Synonyms
- (-)-Santonine
- (3S)-2,3,3a,4,5,5a,8,9bbeta-Octahydro-3,5abeta,9-trimethylnaphtho(1,2-b)furan-2,8-dion
- 11-Epiisoeusantona-1,4-dienic acid, 6alpha-hydroxy-3-oxo-, gamma-lactone
- AI3-19471
- alpha-Santonin
- EINECS 207-560-7
- Eudesma-1,4-dien-12-oic acid, 6-alpha-hydroxy-3-oxo-, gamma-lactone, (11S)-(-)-
- L-alpha-Santonin
- Naphtho(1,2-b)puran-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-
- NSC 41311
- NSC 4900
- Santonin
- Santoninic anhydride
- Santoninum
- Semenen
- UNII-1VL8J38ERO
Systematic Names
- (3S,3aS,5aS,9bS)-2,3,3a,4,5,5a,8,9b-Octahydro-3,5a,9-trimethylnaphtho(1,2-b)furan-2,8-dione
- Eudesma-1,4-dien-12-oic acid, 6-alpha-hydroxy-3-oxo-, gamma-lactone, (11S)-
- Naphtho(1,2-b)furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3S,3aS,5aS,9bS)-
Registry Numbers
CAS Registry Number
- 481-06-1
FDA UNII
- 1VL8J38ERO
Other Registry Number
- 881738-49-4
System Generated Number
- 0000481061
Structure Descriptors
InChI
1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1InChIKey
XJHDMGJURBVLLE-BOCCBSBMSA-NSmiles
C[C@H]1[C@@H]2CC[C@@]3(C)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
man | LDLo | unreported | 15mg/kg (15mg/kg) | "Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970Vol. 2, Pg. 73, 1970. | |
mouse | LD50 | intraperitoneal | 130mg/kg (130mg/kg) | Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 52, Pg. 79S, 1956. | |
mouse | LD50 | intravenous | 180mg/kg (180mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02213, | |
mouse | LD50 | oral | 900mg/kg (900mg/kg) | Drugs in Japan Vol. 6, Pg. 301, 1982. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | 175 | deg C | EXP | |
log P (octanol-water) | 1.780 | (none) | EST | |
Water Solubility | 200 | mg/L | EXP | |
Vapor Pressure | 2.38E-06 | mm Hg | 25 | EST |
Henry's Law Constant | 5.27E-08 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 5.83E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.