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Testosterone Impurity 51

CAT: 1299-RM-T691551-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T691551-04Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1169-49-9
Synonyms
(8R,9S,10R,13S,14S,17S) -10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl isobutyrate
Molecular Formula
C23H34O3
Molecular Weight
358.52
Target Alternative Name
Testosterone
Product Name Synonym
(8R,9S,10R,13S,14S,17S) -10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl isobutyrate

Chemical Information

Testosterone, isobutyrate

Testosterone Isobutyrate is an four-carbon ester form of Testosterone. The number of ester carbon atoms correlate with the half-life of the prodrug. Testosterone inhibits gonadotropin secretion from the pituitary gland and ablates estrogen production in the ovaries, thereby decreasing endogenous estrogen levels. In addition, this agent promotes the maintenance of male sex characteristics and is indicated for testosterone replacement in hypogonadal males. (NCI04)

CAS Number1169-49-9
PubChem CID92149
IUPAC Name[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 2-methylpropanoate
Molecular FormulaC23H34O3
Molecular Weight358.5
XLogP4.9
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity648
SMILES
CC(C)C(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
InChI
InChI=1S/C23H34O3/c1-14(2)21(25)26-20-8-7-18-17-6-5-15-13-16(24)9-11-22(15,3)19(17)10-12-23(18,20)4/h13-14,17-20H,5-12H2,1-4H3/t17-,18-,19-,20-,22-,23-/m0/s1
InChIKey
PYHZLMFTKOTWGQ-WAUHAFJUSA-N
Chemical Structure
2D Structure
2D structure of Testosterone, isobutyrate
CAS: 1169-49-9
CID: 92149
Formula: C23H34O3
MW: 358.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.5
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass358.25079494
Monoisotopic Mass358.25079494
Topological Polar Surface Area43.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity648
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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