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Substance Name: Anisindione [INN:BAN:NF]
RN: 117-37-3
UNII: S747T1ERAJ
InChIKey: XRCFXMGQEVUZFC-UHFFFAOYSA-N
Classification Code
- Drug / Therapeutic Agent
Molecular Formula
- C16-H12-O3
Molecular Weight
- 252.268
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Anisindione
- Anisindione [INN:BAN:NF]
Synonyms
- 1,3-Indanedione, 2-(4-methoxyphenyl)-
- 1H-Indene-1,3(2H)-dione, 2-(4-methoxyphenyl)-
- 2-(4-Methoxyphenyl)-1H-indene-1,3(2H)-dione
- 2-(4-Methoxyphenyl)indan-1,3-dione
- 2-(p-Methoxyphenyl)-1,3-indandione
- 2-(p-Methoxyphenyl)indane-1,3-dione
- 2-p-Anisyl-1,3-indandione
- 2-para-Anisyl-1,3-indandione
- 3-08-00-02931 (Beilstein Handbook Reference)
- Andion
- Anisin indandione
- Anisindiona
- Anisindiona [INN-Spanish]
- Anisindione
- Anisindionum
- Anisindionum [INN-Latin]
- BRN 1880681
- EINECS 204-186-6
- HSDB 3205
- Miradon
- NSC 759629
- SPE 2792
- Unidone
- UNII-S747T1ERAJ
Systematic Names
- 1,3-Indandione, 2-(p-methoxyphenyl)-
- 1H-Indene-1,3(2H)-dione, 2-(4-methoxyphenyl)-
- 2-(p-Methoxyphenyl)indane-1,3-dione
- 2-p-Anisyl-1,3-indandione
- Anisindione
Superlist Name
- Anisindione
Registry Numbers
CAS Registry Number
- 117-37-3
FDA UNII
- S747T1ERAJ
System Generated Number
- 0000117373
Structure Descriptors
InChI
InChI=1S/C16H12O3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3InChIKey
XRCFXMGQEVUZFC-UHFFFAOYSA-NSmiles
COc1ccc(cc1)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 200mg/kg (200mg/kg) | Journal of Medicinal Chemistry. Vol. 28, Pg. 1591, 1985. | |
mouse | LD50 | oral | 300mg/kg (300mg/kg) | Medicina et Pharmacologia Experimentalis. Vol. 17, Pg. 497, 1967. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | 156.5 | deg C | EXP | |
log P (octanol-water) | 2.88 | (none) | EXP | |
Water Solubility | 79.8 | mg/L | 25 | EST |
Vapor Pressure | 6.20E-07 | mm Hg | 25 | EST |
Henry's Law Constant | 2.83E-11 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 2.82E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.