[(10R,13S,17R)-2,2,4,6,6,10-hexadeuterio-13-ethyl-17-ethynyl-3-hydroxyimino-7,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate

Base Information

• Chemical Name: [(10R,13S,17R)-2,2,4,6,6,10-hexadeuterio-13-ethyl-17-ethynyl-3-hydroxyimino-7,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
• CAS No.: 1263194-12-2
• Molecular Formula: C23H31NO3
• Molecular Weight: 375.5
• Mol file: 1263194-12-2.mol

Synonyms:Norgestimate-2,2,4,6,6,10-D6;[(10R,13S,17R)-2,2,4,6,6,10-hexadeuterio-13-ethyl-17-ethynyl-3-hydroxyimino-7,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate;1263194-12-2;AKOS032962827;(17a)-17-(Acetyloxy)-13-ethyl-18,19-dinorpregn-4-en-20-yn-3-one-D6 3-Oxime

Chemical Property of [(10R,13S,17R)-2,2,4,6,6,10-hexadeuterio-13-ethyl-17-ethynyl-3-hydroxyimino-7,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate

Chemical Property:

• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Very Slightly)
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 375.26805433
• Heavy Atom Count: 27
• Complexity: 744

Purity/Quality:

97% ^*data from raw suppliers

Norgestimate-d6(major) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC12CCC3C(C1CCC2(C#C)OC(=O)C)CCC4=CC(=NO)CCC34
• Isomeric SMILES: [2H]C1=C2[C@](CC(C1=NO)([2H])[2H])(C3CC[C@]4(C(C3CC2([2H])[2H])CC[C@]4(C#C)OC(=O)C)CC)[2H]
• Uses: Progestogen. In combination with estrogen as oral contraceptive. A representative lot was 4.5% d4, 17.2% d5, 43.3% d6, 30.2% d7, 4.8% d8 with no detectable d0 Progestogen. In combination with estrogen as oral contraceptive.A representative lot was 4.5% d4, 17.2% d5, 43.3% d6, 30.2% d7, 4.8% d8 with no detectable d0.