(1S,2R,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.02,7.011,15]heptadec-6-en-14-yl decanoate

• ChemBase ID: 131228
• Molecular Formular: C29H46O3
• Molecular Mass: 442.67374
• Monoisotopic Mass: 442.34469533
• SMILES: CCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C)C
• Canonical SMILES: CCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
• InChI: InChI=1S/C29H46O3/c1-4-5-6-7-8-9-10-11-27(31)32-26-15-14-24-23-13-12-21-20-22(30)16-18-28(21,2)25(23)17-19-29(24,26)3/h20,23-26H,4-19H2,1-3H3/t23-,24-,25-,26-,28-,29-/m0/s1
• InChIKey: LBERVHLCXUMDOT-MPZZESAYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,2R,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-6-en-14-yl decanoate
• IUPAC Traditional name: testosterone decanoate; (1S,2R,10R,11S,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-6-en-14-yl decanoate
• Synonyms: Testosterone decanoate; Testosterone decanoate; 17β-羟基-4-雄甾烯-3-酮-17-癸酸酯; 4-雄甾烯-17β-醇-3-酮-17-癸酸酯; 睾酮癸酸酯

Database IDs

• CAS Number: 5721-91-5
• EC Number: 227-226-4
• MDL Number: MFCD00133847
• PubChem SID: 162225506
• PubChem CID: 155143

CALCULATED PROPERTIES

• Acid pKa: 19.086855
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 7.6190653
• LogD (pH = 7.4): 7.6190653
• Log P: 7.6190653
• Molar Refractivity: 130.4152 cm^3
• Polarizability: 51.82931 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-40
• Safety Statements: 22-36
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332-H351
• GHS Precautionary statements: P280
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• Drug Control: USDEA Schedule III; Home Office Schedule 4.2; regulated under CDSA - not available from Sigma-Aldrich Canada

Pharmacology Properties

• Mechanism of Action: Depot-androgen

Product Information

• Purity: ≥98% (TLC); 97%
• Application(s): Depot-androgen