chempirical

Testosterone undecylate

C30H48O3CAS 5949-44-0456.71 g/mol

Open in Covalent MOL file
OOO
AlkeneEsterKetone

Properties

Molecular formula
C30H48O3
Molar mass
456.71 g/mol
Exact mass
456.3603 Da
Melting point
45–47.5 °C
logP
7.96Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
10
Stereocentres
S, S, R, R, S, Sin SMILES atom order

Identifiers

CAS number
5949-44-0
SMILES
CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
UDSFVOAUHKGBEK-CNQKSJKFSA-N
InChI
InChI=1S/C30H48O3/c1-4-5-6-7-8-9-10-11-12-28(32)33-27-16-15-25-24-14-13-22-21-23(31)17-19-29(22,2)26(24)18-20-30(25,27)3/h21,24-27H,4-20H2,1-3H3/t24-,25-,26-,27-,29-,30-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • Testosterone, undecanoate
  • Androst-4-en-3-one, 17-[(1-oxoundecyl)oxy]-, (17β)-
  • Undecanoic acid, ester with testosterone
  • (17β)-17-[(1-Oxoundecyl)oxy]androst-4-en-3-one
  • Andriol
  • Org 538
  • Undestor
  • Andriol testocaps
  • Nebido
  • Testocaps
  • Rextoro
  • Jatenzo

Work with Testosterone undecylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Testosterone enanthate315-37-7100 % similar Testosterone caprinate5721-91-5100 % similar 17β-Hydroxyandrost-4-en-3-one propionate57-85-278 % similar Testosterone cypionate58-20-877 % similar Testosterone isocaproate15262-86-977 % similar Testosterone phenylpropionate1255-49-870 % similar Testosterone 17-acetate1045-69-869 % similar Nandrolone decanoate360-70-366 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Nandrolone laurate26490-31-3 Alpha-boswellic acid471-66-9 Betulinic acid472-15-1 Oleanolic acid508-02-1 Beta-boswellic acid631-69-6 Ursolic acid77-52-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook