(1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyl(13,13,14-2H3)tetracyclo[8.7.0.02,7.011,15]heptadec-6-en-5-one

• ChemBase ID: 130760
• Molecular Formular: C19H28O2
• Molecular Mass: 288.42442
• Monoisotopic Mass: 288.20893014
• SMILES: [C@H]1([C@]2(CC[C@H]3[C@H]([C@@H]2CC1)CCC1=CC(=O)CC[C@]31C)C)O
• Canonical SMILES: O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C
• InChI: InChI=1S/C19H28O2/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/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
• InChIKey: MUMGGOZAMZWBJJ-DYKIIFRCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyl(13,13,14-^2H₃)tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-6-en-5-one; (1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyl(14-^2H)tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-6-en-5-one
• IUPAC Traditional name: (1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyl(13,13,14-^2H₃)tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-6-en-5-one; (1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyl(14-^2H)tetracyclo[8.7.0.0^2,^7.0^1^1,^1^5]heptadec-6-en-5-one
• Synonyms: Testosterone-d3 solution; Testosterone-d3; (17β)-17-Ηydroxyandrost-4-en-3-one-d3; 4-Androsten-17β-ol-3-one-d3; AndroGel-d3; Androderm-d3; Androlin-d3; (+)-Testosterone-d3; trans-Testosterone-d3; Testoderm-d3; Testogel-d3; Testolin-d3; Testro AQ-d3; Testrone-d3; Virosterone-d3; Testosterone-d3; 睾酮-d3 溶液; 17β-羟基雄甾-4-烯-3-酮-16,16,17-d3; 睾酮-d3

Database IDs

• CAS Number: 77546-39-5
• EC Number: 203-794-9
• MDL Number: MFCD00079586
• PubChem SID: 162225038; 24900298; 24900063
• PubChem CID: 45040472

CALCULATED PROPERTIES

• Acid pKa: 19.08686
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.3654232
• LogD (pH = 7.4): 3.3654232
• Log P: 3.3654232
• Molar Refractivity: 84.4298 cm^3
• Polarizability: 33.260063 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: White Solid
• Melting Point: 148-150°C
• Flash Point: 41 °F; 5 °C
• Mass Shift: M+3

Safety Information

• Storage Condition: Controlled Substance, -20°C Freezer
• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: 2252
• German water hazard class: 1; 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 60-61-11-19-20
• Safety Statements: 53-45
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H332-H360FD
• GHS Precautionary statements: P201-P210-P308 + P313
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• RID/ADR: UN 2252 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.
• Drug Control: Home Office Schedule 4.2; USDEA Schedule III; Home Office Schedule 4.2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 100 μg/mL in 1,2-dimethoxyethane
• Grade: analytical standard, for drug analysis
• Isotopic Purity: 98 atom % D

DETAILS

Toronto Research Chemicals - T155002

Labelled Testosterone (T155000). Principal hormone of the testes, produced by the interstitial cells. Major circulating androgen; converted by 5α-reductase in androgen-dependent target tissues to 5α-dehydrotestosterone which is required for normal male se

REFERENCES

• McFarland, K., et al.: Science, 245, 494 (1989)
• Heckert, L., et al.: Mol. Endocrinol., 12, 1499 (1989)
• Themmen, A., et al.: Endocr. Rev. 21, 551 (1989)
• Kumar, R., et al.: Biol. Reprod., 65, 710 (1989)