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Medroxyprogesterone

CAT: 0931-T5040-03Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T5040-03Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
520-85-4
Target
Estrogen/progestogen Receptor, Progesterone Receptor
Related Pathways
Endocrinology/Hormones, Others
Purity
0.9951
Bioactivity
Medroxyprogesterone is used in the treatment of renal carcinoma. It is a synthetic progestational hormone used in veterinary practice as an estrus regulator.
Smiles
[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C
Molecular Formula
C22H32O3
Molecular Weight
344.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Medroxyprogesterone

Medroxyprogesterone is a 3-oxo 4-steroid that is pregn-4-ene-3,20-dione substituted by an alpha-hydroxy group at position 17 and a methyl group at position 6. It has a role as a contraceptive drug, a synthetic oral contraceptive and a progestin. It is a tertiary alpha-hydroxy ketone, a 17alpha-hydroxy steroid, a 20-oxo steroid and a 3-oxo-Delta(4) steroid.

CAS Number520-85-4
PubChem CID10631
IUPAC Name(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Molecular FormulaC22H32O3
Molecular Weight344.5
XLogP3.5
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count25
Formal Charge0
Complexity664
SMILES
C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)O)C)[C@@]4(C1=CC(=O)CC4)C
InChI
InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1
InChIKey
FRQMUZJSZHZSGN-HBNHAYAOSA-N
Chemical Structure
2D Structure
2D structure of Medroxyprogesterone
CAS: 520-85-4
CID: 10631
Formula: C22H32O3
MW: 344.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight344.5
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass344.23514488
Monoisotopic Mass344.23514488
Topological Polar Surface Area54.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity664
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes