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N-Acetyl Norgestimate-[d6]

General Information
Catalog: BLP-011615
CAS: 1263195-02-3
Molecular Formula: C25H27D6NO4
Molecular Weight: 417.58
Chemical Structure
N-Acetyl Norgestimate-[d6]
Description N-Acetyl Norgestimate-[d6] is the labelled analogue of N-Acetyl Norgestimate, which is an intermediate of Norgestimate. Norgestimate is a progestogen that can be combined with estrogen as an oral contraceptive.
Synonyms N-Acetyl Norgestimate D6; Norgestimate-3-acetate-2,2,4,6,6,10-D6; Norgestimate-3-acetate-D6; (17α)-17-(Acetyloxy)-13-ethyl-18,19-dinorpregna-1,3,5(10)-trien-20-yn-3-one O-Acetyloxime-d6; Norgestimate-N-acetate-2,2,4,6,6,10-d6
IUPAC Name [(3E,8R,9S,10R,13S,14S,17R)-3-acetyloxyimino-2,2,4,6,6,10-hexadeuterio-13-ethyl-17-ethynyl-7,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Related CAS 1060384-93-1 (unlabelled)
Isomeric SMILES [2H]C\1=C2[C@](CC(/C1=N\OC(=O)C)([2H])[2H])([C@H]3CC[C@]4([C@H]([C@@H]3CC2([2H])[2H])CC[C@]4(C#C)OC(=O)C)CC)[2H]
Canonical SMILES CCC12CCC3C(C1CCC2(C#C)OC(=O)C)CCC4=CC(=NOC(=O)C)CCC34
InChI InChI=1S/C25H33NO4/c1-5-24-13-11-21-20-10-8-19(26-30-17(4)28)15-18(20)7-9-22(21)23(24)12-14-25(24,6-2)29-16(3)27/h2,15,20-23H,5,7-14H2,1,3-4H3/b26-19+/t20-,21+,22+,23-,24-,25-/m0/s1/i7D2,8D2,15D,20D
InChI Key JWLHCJCKDYVRNJ-RWWDXLKWSA-N
Purity >98%
Solubility Soluble in Chloroform, Ethyl Acetate, Methanol
Appearance Light Yellow Powder

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