Norelgestromin, (Z)-

(3Z,8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-hydroxyimino-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol

Also Known As: Norelgestromin|syn-Norelgestromin|17-Deacetylnorgestimate|Levonorgestrel oxime|Norplant 3-oxime|((Z)-Norelgestromin)|Norelgestromin, (Z)-|D-Norgestrel 3-oxime|17-Deacylnorgestimate|(Z)-17-Deacetylnorgestimate|progestin norelgestromin|Levonorgestrel 3-Oxime|18-Methylnorethindrone oxime|Norgestimate EP Impurity D|17-Desacetyl Norgestimate|E-17-Deacetylnorgestimate|17-Deacetylnorgestimate, (Z)-|(3E)-17-Deacetylnorgestimate|Norelgestromin [USAN:INN]|Norgestimate impurity D [EP]|(3Z)-17-Desacetyl Norgestimate|Norelgestromin [USAN:INN:BAN]|Norgestimate metabolite Norelgestromin|RWJ 10553|NORGESTIMATE IMPURITY D [EP IMPURITY]|NORGESTIMATE IMPURITY D (EP IMPURITY)|17-Deacetyl norgestimate;17-Deacylnorgestimate|(3Z)-13beta-Ethyl-3-(hydroxyimino)-18,19-dinor-17alpha-pregn-4-en-20-yn-17-ol|18,19-DINORPREGN-4-EN-20-YN-3-ONE, 13-ETHYL-17-HYDROXY-, OXIME, (3Z,17.ALPHA.)-|18,19-Dinorpregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-, oxime, (3Z,17alpha)-|(17|A)-13-Ethyl-17-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one Oxime|(17R)-13-Ethyl-17-hydroxy-18,19-dinor-pregna-4-ene-20-yne-3-oneoxime|(1R,3aS,3bR,9aR,9bS,11aS)-11a-ethyl-1-ethynyl-7-(hydroxyimino)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-ol|(3Z)-13.BETA.-ETHYL-3-(HYDROXYIMINO)-18,19-DINOR-17.ALPHA.-PREGN-4-EN-20-YN-17-OL

Molecular Formula	C21H29NO2
Molecular Weight	327.21982 g/mol
LogP	4.1437
Topological Polar Surface Area	52.82 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	1
Exact Mass	327.21982
Monoisotopic Mass	327.21982
Heavy Atoms	24
Complexity	630.24023

Chemical Identifiers

CAS Number	74183-55-4
SMILES	CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C/C(=N\O)/CC[C@H]34