Compound Selection

Formula: C22H28O3

MW: 340.46

CAS: 51-98-9

MDL NUMBER: MFCD03225496

IUPAC: (1S,11S,15S,2R,10R,14R)-14-ethynyl-15-methyl-5-oxotetracyclo[8.7.0.0<2,7>.0<11 ,15>]heptadec-6-en-14-yl acetate

Smiles: C=12[C@@H]([C@H]3(CC[C]4([C@@](C#C)(OC(=O)C)CC[C@@H]4([C@@H]3(CC2)))C))(CCC(=O)C1)

THERAPEUTIC CATEGORY: Progestogen

ACCEPTORS: 3

DONORS: 0

ROTATION BONDS: 2

N+O: 3

Chiral Centers: 6

LogP: 6.12

LogS: -5.46

LIPINSKI: 3

Synonyms: (17-alpha)-17-(Acetyloxy)-19-norpregn-4-en-20-yn-3-one;(17a)-17-(acetyloxy)-19-norpregn-4-en-20-yn-3-one;17-acetoxy-19-nor-17-alpha-pregn-4-en-20-yn-3-on;17-acetoxy-19-nor-17-alpha-pregn-4-en-20-yn-3-one;17-Acetoxy-19-nor-17alpha-pregn-4-en-20-yn-3-one;17-acetyloxy(17-alpha)-19-norpregn-4-estren-17-beta-ol-acetate-3-one;17-Acetyloxy(17alpha)-19-norpregn-4-estren-17beta-ol-acetate-3-one;17alpha-Ethinyl-19-nortestosterone 17beta-acetate

CAS:51-98-9

MF:C22H28O3

MW:340.46

EINECS:200-132-0

Product Categories:Active Pharmaceutical Ingredients;Acetylenes;Biochemistry;Functionalized Acetylenes;Hydroxyketosteroids;Steroids 19-Norethindrone acetate

Chemical Properties: refractive index -34 (C=1, Dioxane) Merck 6697

CAS DataBase Reference: 51-98-9(

CAS DataBase Reference: ) NIST Chemistry ReferenceNorethindrone acetate(51-98-9) Xn Risk Statements 40-48 Safety Statements 36/37 WGK Germany 3 RTECS RC8965000 19-Norethindrone acetate

Usage And Synthesis: 19-Norethindrone acetate

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