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| CAS No.: | 77546-39-5 |
|---|---|
| Name: | TESTOSTERONE-16,16,17-D3 |
| Article Data: | 2 |
| Molecular Structure: | |
|
|
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| Formula: | C19H25D3O2 |
| Molecular Weight: | 291.406 |
| Synonyms: | Testosterone-16,16,17-d3; |
| EINECS: | 203-794-9 |
| Density: | 1.134 g/cm3 |
| Melting Point: | 148-150°C |
| Boiling Point: | 432.925 °C at 760 mmHg |
| Flash Point: | 184.655 °C |
| Hazard Symbols: |
 F, T
|
| Risk Codes: | 61-40-20-19-11-60 |
| Safety: | 53-45-36/37/39-22 |
| PSA: | 37.30000 |
| LogP: | 3.87920 |
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Specification
The Androst-4-en-3-one-16,16,17-d3,17-hydroxy-, (17β)-, with the CAS registry number 77546-39-5, is also known as Testosterone-16,16,17-d3. It belongs to the product categories of Intermediates & Fine Chemicals; Isotope Labeled Compounds; Pharmaceuticals; Steroids; Solutions Drugs of Abuse; Steroid Alphabetic; Chemical Structure; Drugs of Abuse Analytical Standards; Drugs Standards Drugs & Metabolites; Drugs & Metabolites; Drugs, Pharma, APIForensic and Veterinary Standards; Labeled Standards; Labelled; TA - TE. This chemical's molecular formula is C19H25D3O2 and molecular weight is 291.44. What's more, its systematic name is called (17β)-17-Hydroxy(16,16,17-2H3)androst-4-en-3-one. It can be used as Labelled Testosterone which is secreted by the testis and is converted to dihydrotestosterone in the target tissue where is appears to mediate many of the biological actions of testosterone.
Physical properties about Androst-4-en-3-one-16,16,17-d3,17-hydroxy-, (17β)- are: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.179; (4)ACD/LogD (pH 7.4): 3.179; (5)ACD/BCF (pH 5.5): 153.378; (6)ACD/BCF (pH 7.4): 153.378; (7)ACD/KOC (pH 5.5): 1276.959; (8)ACD/KOC (pH 7.4): 1276.959; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.56; (14) Molar Refractivity: 83.113 cm3; (15)Molar Volume: 256.96 cm3; (16)Surface Tension: 44.49 dyne/cm; (17)Density: 1.134 g/cm3; (18)Flash Point: 184.655 °C; (19)Enthalpy of Vaporization: 79.521 kJ/mol; (20)Boiling Point: 432.925 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. Firstly, this chemical may catch fire in contact with air, only need brief contact with an ignition source and have a very low flash point or evolve highly flammable gases in contact with water. Secondly, it is harmful by inhalation and may cause harm to the unborn child. Thirdly, it may form explosive peroxides and at low levels cause damage to health. Finally, this chemical may impair fertility and even have a limited evidence of a carcinogenic effect. Therefore, you should wear suitable protective clothing, gloves, eye/face protection and can not breathe it. In addition, you should avoid exposuring. In case of accident or if you feel unwell seek medical advice immediately
You can still convert the following datas into molecular structure:
(1) SMILES: [2H][C@@]1(C(CC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)([2H])[2H])O
(2) InChI: InChI=1/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/i6D2,17D
(3) InChIKey: MUMGGOZAMZWBJJ-IWQWODJHFK