Name: Drospirenone mixture with Ethinylestradiol
Rating: 5 (10 reviews)

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HIT ID:HIT212715890
Cas No:164017-31-6
常用名:Drospirenone mixture with Ethinylestradiol
常用名:Drospirenone mixture with Ethinylestradiol
别名:Yaz-28, Yaz 28, Yasmin 28, Syeda, Ocella, Nikki
别名:Yaz-28, Yaz 28, Yasmin 28, Syeda, Ocella, Nikki
IUPAC:(1R,2R,4R,10R,11S,14S,15S,16S,18S,19S)-10,14-dimethylspiro[hexacyclo[9.8.0.0^{2,4}.0^{5,10}.0^{14,19}.0^{16,18}]nonadecane-15,2'-oxolan]-5-ene-5',7-dione; (1R,3aS,3bR,9bS,11aS)-1-ethynyl-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
IUPAC:(1R,2R,4R,10R,11S,14S,15S,16S,18S,19S)-10,14-dimethylspiro[hexacyclo[9.8.0.0^{2,4}.0^{5,10}.0^{14,19}.0^{16,18}]nonadecane-15,2'-oxolan]-5-ene-5',7-dione; (1R,3aS,3bR,9bS,11aS)-1-ethynyl-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
InChI key:JLQFVGYYVXALAG-CFEVTAHFSA-N

分子式:C44H54O5
分子量:662.911
氢键供体数 (HBD):0
氢键受体数 (HBA):2
LogP:3.3667614
SMILES:C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C.C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 |t:35|
SMILES:C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C.C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 |t:35|

Drospirenone mixture with Ethinylestradiol is a female oral combined contraceptive containing 30 mcg (0.030 mg) Ethinyl Estradiol and 3 mg drospirenone (Androstenes).

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