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Substance Name: Cicrotoic acid [INN:DCF]
RN: 25229-42-9
UNII: LMP5BMU9EF
InChIKey: WVRIPRILKKOIQL-UHFFFAOYSA-N
Classification Code
- Drug / Therapeutic Agent
Molecular Formula
- C10-H16-O2
Molecular Weight
- 168.2344
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Cicrotoic acid
- Cicrotoic acid [INN:DCF]
Synonyms
- 3-Cyclohexyl-2-butenoic acid
- Accroibile
- Acide cicrotoique
- Acide cicrotoique [INN-French]
- Acido cicrotoico
- Acido cicrotoico [INN-Spanish]
- Acidum cicrotoicum
- Acidum cicrotoicum [INN-Latin]
- AD 106
- AD-106
- beta-Cyclohexyl-beta-methacrylic acid
- beta-Methylcyclohexaneacrylic acid
- beta-Methylcyclohexanepropenoic acid
- BRN 2640850
- Cicrotoic acid
- Cicrotoinsaeure
- EINECS 246-739-4
- UNII-LMP5BMU9EF
Systematic Names
- 2-Butenoic acid, 3-cyclohexyl- (9CI)
- beta-Methylcyclohexaneacrylic acid
- Cicrotoic acid
- Cyclohexaneacrylic acid, beta-methyl-
Registry Numbers
CAS Registry Number
- 25229-42-9
FDA UNII
- LMP5BMU9EF
System Generated Number
- 0025229429
Structure Descriptors
InChI
1S/C10H16O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,11,12)InChIKey
WVRIPRILKKOIQL-UHFFFAOYSA-NSmiles
CC(=CC(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 1925mg/kg (1925mg/kg) | "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989Vol. 11, Pg. 353, 1989. | |
| rat | LD50 | oral | 2900mg/kg (2900mg/kg) | "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989Vol. 11, Pg. 353, 1989. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 85.5 | deg C | EXP | |
| log P (octanol-water) | 3.670 | (none) | EST | |
| Atmospheric OH Rate Constant | 4.11E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.