Basic Information | Post buying leads | Suppliers |
Name |
Fenestrel |
EINECS | N/A |
CAS No. | 7698-97-7 | Density | 1.054 g/cm3 |
PSA | 37.30000 | LogP | 3.83680 |
Solubility | N/A | Melting Point |
160.5°C |
Formula | C16H20O2 | Boiling Point | 389.1 °C at 760 mmHg |
Molecular Weight | 244.334 | Flash Point | 183.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Methyl-3-ethyl-4-phenylcyclohex-4-enecarboxylicacid;5-Ethyl-6-methyl-4-phenyl-3-cyclohexene-1-carboxylic acid;Fenestrel;ORF3858; |
The Fenestrel ,its cas register number is 7698-97-7. The IPUAC name about this chemicals is 5-Ethyl-6-methyl-4-phenylcyclohex-3-ene-1-carboxylic acid .It has a related number is 16550-39-3 (hydrochloride salt). The index of refraction about it is 1.532, molar refractivity is 71.85 cm3 , molar volume is 231.7 cm3 and surface tension is 37.8 dyne/cm. also, it have other chemical properties, for example, the enthalpy of vaporization about this chemicals is 67.33 kJ/mol, vapour pressure is 9.44E-07 mmHg at 25°C and so on. Following are classification code about this chemicals: Estrogen ,Reproductive Effect and Tumor data.
The Fenestrel is a kind of estrogen and progesterone medicine.
This chemicals can be described computed from structure:
1) Canonical SMILES: CCC1C(C(CC=C1C2=CC=CC=C2)C(=O)O)C
2) InChI: InChI=1S/C16H20O2/c1-3-13-11(2)14(16(17)18)9-10-15(13)12-7-5-4-6-8-12/h4-8,10-11,13-14H,3,9H2,1-2H3,(H,17,18)
3) InChIKey: CLMFEXDZPBGYQQ-UHFFFAOYSA-N
The most important thing about Fenestrel is the toxicity, following is the form:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LDLo | intravenous | 20mg/kg (20mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Toxicology and Applied Pharmacology. Vol. 19, Pg. 412, 1971. |
mouse | LD50 | intraperitoneal | 150mg/kg (150mg/kg) | Toxicology and Applied Pharmacology. Vol. 19, Pg. 412, 1971. | |
mouse | LD50 | oral | 680mg/kg (680mg/kg) | Toxicology and Applied Pharmacology. Vol. 19, Pg. 412, 1971. | |
rat | LD50 | oral | 2350mg/kg (2350mg/kg) | Toxicology and Applied Pharmacology. Vol. 19, Pg. 412, 1971. |