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Androstenedione

CAT: 0926-FA156791-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0926-FA156791-01Size:10 g
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CAS Number
63-05-8
MDL Number
MFCD00003615
Smiles
C[C@]12CCC (=O) C=C1CC[C@@H]3[C@@H]2CC[C@]4 ([C@H]3CCC4=O) C
Molecular Formula
C19H26O2
Molecular Weight
286.41 g/mol
Controlled
Yes

Chemical Information

Androstenedione

Androstenedione can cause cancer according to The National Toxicology Program.

CAS Number63-05-8
PubChem CID6128
IUPAC Name(8R,9S,10R,13S,14S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
Molecular FormulaC19H26O2
Molecular Weight286.4
XLogP2.7
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity546
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C
InChI
InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
InChIKey
AEMFNILZOJDQLW-QAGGRKNESA-N
Chemical Structure
2D Structure
2D structure of Androstenedione
CAS: 63-05-8
CID: 6128
Formula: C19H26O2
MW: 286.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight286.4
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass286.193280068
Monoisotopic Mass286.193280068
Topological Polar Surface Area34.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity546
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes