2-methoxy-2-oxoethyl 2-{[2-(2-{bis[2-(2-methoxy-2-oxoethoxy)-2-oxoethyl]amino}ethoxy)ethyl][2-(2-methoxy-2-oxoethoxy)-2-oxoethyl]amino}acetate

• ChemBase ID: 178059
• Molecular Formular: C24H36N2O17
• Molecular Mass: 624.54584
• Monoisotopic Mass: 624.2013977
• SMILES: C(=O)(COC(=O)CN(CCOCCN(CC(=O)OCC(=O)OC)CC(=O)OCC(=O)OC)CC(=O)OCC(=O)OC)OC
• Canonical SMILES: COC(=O)COC(=O)CN(CC(=O)OCC(=O)OC)CCOCCN(CC(=O)OCC(=O)OC)CC(=O)OCC(=O)OC
• InChI: InChI=1S/C24H36N2O17/c1-35-21(31)13-40-17(27)9-25(10-18(28)41-14-22(32)36-2)5-7-39-8-6-26(11-19(29)42-15-23(33)37-3)12-20(30)43-16-24(34)38-4/h5-16H2,1-4H3
• InChIKey: HUXZWLOCCJOCCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-2-oxoethyl 2-{[2-(2-{bis[2-(2-methoxy-2-oxoethoxy)-2-oxoethyl]amino}ethoxy)ethyl][2-(2-methoxy-2-oxoethoxy)-2-oxoethyl]amino}acetate
• IUPAC Traditional name: 2-methoxy-2-oxoethyl 2-{[2-(2-{bis[2-(2-methoxy-2-oxoethoxy)-2-oxoethyl]amino}ethoxy)ethyl][2-(2-methoxy-2-oxoethoxy)-2-oxoethyl]amino}acetate
• Synonyms: 17β-Hydroxyandrost-4-en-3-one Cyclopentanepropionate-d3; 17β-Hydroxyandrost-4-en-3-one Cyclopentylpropionate-d3; Depo-testosterone-d3; Deposteron-d3; Depotest-d3; Depovirin-d3; NSC 9157-d3; Pertestis-d3; Testex Leo-d3; Testodrin Prolongatum-d3; Testosterone 17β-Cyclopentanepropionate-d3; Testosterone 17β-Cyclopentylpropionate-d3; Testosterone 17β-Cypionate-d3; Testosterone Cyclopentylpropionate-d3; Virilon-d3; Testosterone Cypionate-d3

Database IDs

• PubChem SID: 164233969
• PubChem CID: 4572329

CALCULATED PROPERTIES

• H Acceptors: 11
• H Donor: 0
• LogD (pH = 5.5): -2.8663745
• LogD (pH = 7.4): -2.8473873
• Log P: -2.8471427
• Molar Refractivity: 135.8803 cm^3
• Polarizability: 55.4566 Å^3
• Polar Surface Area: 226.11 Å^2
• Rotatable Bonds: 30
• Lipinski's Rule of Five: false

DETAILS

Toronto Research Chemicals - T155102

Labelled analogue of Testosterone Cypionate, an anabolic steroid with androgenic properties. Testosterone Cypionate is used for testosterone therapy in males with hypogonadism. Controlled Substance.

REFERENCES

• Rabkin, J.G. et al.: J. Clin. Psychopharmacol., 19, 19 (1999)
• Hajjar, R. et al.: J. Clin. Endocrinol. Metab., 82, 3793 (1999)
• Rhoden, E. et al.: J. Sex Med., 7, 277 (1999)