Zeranol

The Zeranol, with the CAS registry number 26538-44-3, is also known as 6-(6,10-Dihydroxyundecyl)-b-resorcylic acid-m-lactone. It belongs to the product categories of Intermediates & Fine Chemicals; Pharmaceuticals; Aromatics; Chiral Reagents. Its EINECS number is 247-769-0. This chemical's molecular formula is C₁₈H₂₆O₅ and molecular weight is 322.40. What's more, its systematic name is (3S,7R)-7,14,16-Trihydroxy-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-1H-2-benzoxacyclotetradecin-1-one. Its classification codes are: (1)Anabolic; (2)Estrogens; (3)Estrogens, non-steroidal; (4)Hormones; (5)Hormones, Hormone Substitutes, and Hormone Antagonists; (6)Mutation data; (7)Reproductive Effect. It is hygroscopic, and its storage temperature is -20°C. This chemical is a non-steroidal estrogen analog. It is used as animal growth promotant, anabolic and controlled substance. Zeranol is approved for use as a growth promoter in livestock, including beef cattle, in the United States. In Canada, it is approved for use in beef cattle only. Its application is not approved for use in the European Union.

Physical properties of Zeranol are: (1)ACD/LogP: 4.648; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.65; (4)ACD/LogD (pH 7.4): 4.51; (5)ACD/BCF (pH 5.5): 1997.61; (6)ACD/BCF (pH 7.4): 1454.38; (7)ACD/KOC (pH 5.5): 8007.92; (8)ACD/KOC (pH 7.4): 5830.24; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 86.99 Å²; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 87.119 cm³; (15)Molar Volume: 279.547 cm³; (16)Polarizability: 34.536×10^-24cm³; (17)Surface Tension: 44.51 dyne/cm; (18)Density: 1.153 g/cm³; (19)Flash Point: 207.85 °C; (20)Enthalpy of Vaporization: 90.738 kJ/mol; (21)Boiling Point: 575.978 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by (3S,7R)-14,16-di-O-benzyl-3,4,5,6,7,8,9,10-octahydro-7,14,16-trihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1-one. This reaction will need reagent H₂ and solvent ethanol with the reaction time of 6 hours. This reaction will also need catalyst Ra-Ni catalyst. The yield is about 86%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It may impair fertility. When using it, you need to wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible). It should be avoided exposure, and you need to obtain special instructions before use.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1O[C@H](CCC[C@H](O)CCCCCc2cc(O)cc(O)c12)C
(2)Std. InChI: InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14+/m0/s1
(3)Std. InChIKey: DWTTZBARDOXEAM-GXTWGEPZSA-N