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Medroxyprogesterone Acetate Impurity 5

CAT: 1596-AR-M04059-05Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-M04059-05Size:150
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1072923-64-8
Molecular Formula
C24H34O5
Molecular Weight
402.53
API Name
Medroxyprogesterone

Chemical Information

2b-Hydroxy Medroxy Progesterone 17-Acetate (>90%)
CAS Number1072923-64-8
PubChem CID101476272
IUPAC Name[(2S,6S,8R,9S,10R,13S,14S,17R)-17-acetyl-2-hydroxy-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Molecular FormulaC24H34O5
Molecular Weight402.5
XLogP3.2
Topological Polar Surface Area80.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity799
SMILES
C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)[C@H](C4)O)C)C)(C(=O)C)OC(=O)C
InChI
InChI=1S/C24H34O5/c1-13-10-16-17(22(4)12-21(28)20(27)11-19(13)22)6-8-23(5)18(16)7-9-24(23,14(2)25)29-15(3)26/h11,13,16-18,21,28H,6-10,12H2,1-5H3/t13-,16+,17-,18-,21-,22+,23-,24-/m0/s1
InChIKey
DEGIWINEDRZHEE-BPZOWPSYSA-N
Chemical Structure
2D Structure
2D structure of 2b-Hydroxy Medroxy Progesterone 17-Acetate (>90%)
CAS: 1072923-64-8
CID: 101476272
Formula: C24H34O5
MW: 402.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.5
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass402.24062418
Monoisotopic Mass402.24062418
Topological Polar Surface Area80.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity799
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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