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Medroxyprogesterone-d3

CAT: 1596-AR-M01229-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M01229-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
162462-69-3
Synonyms
6?-17-Hydroxy-6- (methyl-d3) -pregn-4-ene-3,20-dione; 17?-Hydroxy-6?-methyl-d3) -progesterone; 17-Hydroxy-6?- (methyl-d3) pregn-4-ene-3,20-dione; Medroxy Progesterone-d3
Molecular Formula
C22H29D3O3
Molecular Weight
347.51
API Name
Medroxyprogesterone

Chemical Information

Medroxyprogesterone-d3
CAS Number162462-69-3
PubChem CID46782109
IUPAC Name(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-6-(trideuteriomethyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Molecular FormulaC22H32O3
Molecular Weight347.5
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
[2H]C([2H])([2H])[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/i1D3
InChIKey
FRQMUZJSZHZSGN-ZLUPVJNASA-N
Chemical Structure
2D Structure
2D structure of Medroxyprogesterone-d3
CAS: 162462-69-3
CID: 46782109
Formula: C22H32O3
MW: 347.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.5
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass347.25397512
Monoisotopic Mass347.25397512
Topological Polar Surface Area54.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity664
Isotope Atom Count3
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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