The Norgestrel, with the CAS registry number 6533-00-2, is also known as Levonorgestrel. It belongs to the product categories of Hormone; Intermediates & Fine Chemicals; Pharmaceuticals; Steroids; Chiral Reagents; Glucuronides; Metabolites & Impurities. Its EINECS registry number is 212-349-8. This chemical's molecular formula is C₂₁H₂₈O₂ and molecular weight is 312.45. What's more, both its IUPAC name and systematic name are the same which is called (8R,9S,10R,13S,14S,17R)-13-Ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one. Norgestrel is a progestin used in hormonal contraceptives. It is used in the hormonal contraceptive Microgynon 30, among others. It is an excellent progestational and ovulation inhibiting steroid. This chemical can be used as progestogen, oral contraceptive and a metabolite of norgestrel.

Physical properties about Norgestrel are: (1)ACD/LogP: 3.368; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.37; (4)ACD/LogD (pH 7.4): 3.37; (5)ACD/BCF (pH 5.5): 213.58; (6)ACD/BCF (pH 7.4): 213.57; (7)ACD/KOC (pH 5.5): 1618.45; (8)ACD/KOC (pH 7.4): 1618.45; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 90.182 cm³; (15)Molar Volume: 274.312 cm³; (16)Polarizability: 35.751×10^-24cm³; (17)Surface Tension: 48.316 dyne/cm; (18)Density: 1.139 g/cm³; (19)Flash Point: 195.446 °C; (20)Enthalpy of Vaporization: 82.995 kJ/mol; (21)Boiling Point: 459.139 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Uses of Norgestrel: it is used to produce other chemicals. For example, it can react with cyclobutanecarboxylic acid to get levonorgestrel 17b-cyclobutylcarboxylate. This reaction needs reagents (CF₃CO)₂O, Na₂CO₃ and solvent benzene at ambient temperature. The reaction time is 1.5 hours. The yield is 95.4 %.

When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. The gas can not be breathed. Therefore, you should wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C4\C=C3/[C@@H]([C@H]2CC[C@]1([C@@H](CC[C@]1(C#C)O)[C@@H]2CC3)CC)CC4
(2) InChI: InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
(3) InChIKey: WWYNJERNGUHSAO-XUDSTZEESA-N

The toxicity data is as follows: