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Drospirenone mixture with Ethinylestradiol

CAT: 0013-GTR19224113-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224113-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
This product is a combined oral contraceptive formulation for research use, containing 3 mg of the progestin drospirenone and 0.030 mg (30 mcg) of the estrogen ethinyl estradiol. It is utilized in pharmacological studies to investigate hormone receptor interactions, metabolic effects, and the mechanisms of action of synthetic steroids in both in vitro and in vivo experimental models.
CAS Number
164017-31-6
Field of Research
Pharmacology & Drug Discovery
Smiles
C[C@@]12[C@] ([C@]3 ([C@] (CC1) (C=4C (CC3) =CC (O) =CC4) [H]) [H]) (CC[C@]2 (C#C) O) [H].C[C@@]12[C@]3 ([C@@]4 ([C@] ([C@]1 ([C@]5 ([C@] (CC2) ([C@]6 (C) C ([C@]7 ([C@@]5 (C7) [H]) [H]) =CC (=O) CC6) [H]) [H]) [H]) (C4) [H]) [H]) OC (=O) CC3
Molecular Formula
C44H54O5
Molecular Weight
662.90
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Yasmin

Drospirenone/Ethinyl Estradiol is a combination of two steroid sex hormones, the estrogen ethinyl estradiol and a progestin drospirenone, used for contraceptive purposes. The combination of ethinyl estradiol with drospirenone suppresses the hypothalamic-pituitary system, leading to an inhibition of the release of gonadotropin hormones follicle stimulating hormone (FSH) and luteinizing hormone (LH). The inhibition of FSH release suppresses the development of ovarian follicle. The decreased release of LH inhibits ovulation. In addition, thickening of the cervical mucus and the endometrium is promoted, thereby altering the endometrium in such a way as to discourage implantation.

CAS Number164017-31-6
PubChem CID147740
IUPAC Name(1R,2R,4R,10R,11S,14S,15S,16S,18S,19S)-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadec-5-ene-15,5'-oxolane]-2',7-dione;(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Molecular FormulaC44H54O5
Molecular Weight662.9
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count49
Formal Charge0
Complexity1330
SMILES
C[C@]12CCC(=O)C=C1[C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6[C@@]57CCC(=O)O7)C.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O
InChI
InChI=1S/C24H30O3.C20H24O2/c1-22-6-3-12(25)9-17(22)13-10-14(13)20-16(22)4-7-23(2)21(20)15-11-18(15)24(23)8-5-19(26)27-24;1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h9,13-16,18,20-21H,3-8,10-11H2,1-2H3;1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t13-,14+,15-,16+,18+,20-,21+,22-,23+,24+;16-,17-,18+,19+,20+/m11/s1
InChIKey
JLQFVGYYVXALAG-CFEVTAHFSA-N
Chemical Structure
2D Structure
2D structure of Yasmin
CAS: 164017-31-6
CID: 147740
Formula: C44H54O5
MW: 662.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight662.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass662.39712482
Monoisotopic Mass662.39712482
Topological Polar Surface Area83.8 Ų
Heavy Atom Count49
Formal Charge0
Complexity1330
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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