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Oxymetholone

CAT: 0926-FO156787-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FO156787-03Size:100 mg
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CAS Number
434-07-1
MDL Number
MFCD00869395
Smiles
C[C@]12CC[C@H]3[C@H] ([C@@H]1CC[C@]2 (C) O) CC[C@@H]4[C@@]3 (C/C (=C/O) /C (=O) C4) C
Molecular Formula
C21H32O3
Molecular Weight
332.48 g/mol
Controlled
Yes

Chemical Information

Oxymetholone

Oxymetholone can cause cancer according to an independent committee of scientific and health experts. It can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number434-07-1
PubChem CID5281034
IUPAC Name(2Z,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2-(hydroxymethylidene)-10,13,17-trimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC21H32O3
Molecular Weight332.5
XLogP4.4
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count24
Formal Charge0
Complexity596
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(C/C(=C/O)/C(=O)C4)C
InChI
InChI=1S/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12-/t14-,15+,16-,17-,19-,20-,21-/m0/s1
InChIKey
ICMWWNHDUZJFDW-DHODBPELSA-N
Chemical Structure
2D Structure
2D structure of Oxymetholone
CAS: 434-07-1
CID: 5281034
Formula: C21H32O3
MW: 332.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight332.5
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass332.23514488
Monoisotopic Mass332.23514488
Topological Polar Surface Area57.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity596
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes