Product Information
Name:(3E)-17-Deacetylnorgestimate
Synonyms:
- 18,19-Dinorpregn-4-en-20-yn-3-one
- 13-ethyl-17-hydroxy-
- oxime
- (3E,17α)- (9CI)
- anti-Norelgestromin
Brand:TRC
Description:Applications E-17-Deacetylnorgestimate is a metabolite of Norgestimate. A contraceptive for birth control used by women.Note- The oxime isomerizes when: 1) Heated in any solvent or heating the crystalline form 2) Dissolved in MeOH at room temperature very quickly 3) Dissolved in acetone or CHCl3 at room temperature in a couple of hours at room temperature4) In EtOAc or EtOAc/isooctane over a couple of days at RT. It is stable in the crystalline form.References Phillips, A., et al.: Steroids, 55, 373 (1990); Rabiolo, A., et al.: Arch. Gynecol. Obstet., 294, 1317 (2016)
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Chemical properties
Molecular weight:327.46
Formula:C21H29NO2
Color/Form:Off-White
InChI:InChI=1S/C21H29NO2/c1-3-20-11-9-17-16-8-6-15(22-24)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23-24H,3,5-12H2,1H3/b22-15-/t16-,17+,18+,19-,20-,21-/m0/s1
SMILES:C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC
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