Testosterone isocaproate

Iupac Name：[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 4-methylpentanoate

CAS No.: 15262-86-9

Molecular Weight：386.576

Modify Date.: 2022-10-31 05:57

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1. Names and Identifiers

1.1 Name: Testosterone isocaproate
1.2 Synonyms: (17Β)-3-Oxoandrost-4-en-17-yl 4-methylpentanoate [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 4-methylpentanoate -10,13-Dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl 4-methylpentanoate 17beta-hydroxyandrost-4-ene-3-one 4-methylvalerate 3-oxoandrost-4-en-17-yl 4-methylpentanoate 4-ANDROSTEN-17-BETA-OL-3-ONE ISOCAPROATE 4-methylpentanoic acid [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester Androst-4-en-3-one, 17-((4-methyl-1-oxopentyl)oxy)-, (17Β)- Androst-4-en-3-one, 17-[(4-methyl-1-oxopentyl)oxy]-, (17Β)- EINECS 239-307-1 MFCD00133848 Pentanoic acid, 4-methyl-, (17Β)-3-oxoandrost-4-en-17-yl ester Steroids Testosterone Isocaproate CAS 15262-86-9 Testosterone Isocaproate for System Suit Testosterone isocaproate(15262-86-9) Testosterone, 17- (4-methylpentanoate) Testosterone, 17- (4-methylvalerate) TestosteroneIsocaproate

1.3 CAS No.: 15262-86-9

1.4 CID: 231084

1.5 EINECS(EC#): 239-307-1

1.6 Molecular Formula: C25H38O3 (isomer)

1.7 Inchi: InChI=1S/C25H38O3/c1-16(2)5-10-23(27)28-22-9-8-20-19-7-6-17-15-18(26)11-13-24(17,3)21(19)12-14-25(20,22)4/h15-16,19-22H,5-14H2,1-4H3/t19-,20-,21-,22-,24-,25-/m0/s1

1.8 InChkey: PPYHLSBUTAPNGT-BKWLFHPQSA-N

1.9 Canonical Smiles: CC(C)CCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C

1.10 Isomers Smiles: CC(C)CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C

2. Properties

2.1 Density: 1.07

2.1 Melting point: 79-80 °C

2.1 Boiling point: 487.6 °C at 760 mmHg

2.1 Refractive index: 1.529

2.1 Flash Point: 208 °C

2.1 Precise Quality: 386.28200

2.1 PSA: 43.37000

2.1 logP: 5.86630

2.1 Chemical Properties: White or almost white powder.

2.2 Color/Form: Powder

2.3 Water Solubility: Practically insoluble in water, very soluble in acetone and in methylene chloride, freely soluble in fatty oils.

3. Use and Manufacturing

3.1 GHS Classification: Signal: Danger
GHS Hazard Statements
Aggregated GHS information provided by 36 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

H302 (97.22%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (94.44%): Harmful in contact with skin [Warning Acute toxicity, dermal]
H332 (94.44%): Harmful if inhaled [Warning Acute toxicity, inhalation]
H351 (97.22%): Suspected of causing cancer [Warning Carcinogenicity]
H360 (30.56%): May damage fertility or the unborn child [Danger Reproductive toxicity]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P201, P202, P261, P264, P270, P271, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P308+P313, P312, P322, P330, P363, P405, and P501

3.2 Usage: Androgen. Testosterone isocaproateSupplier

4. Safety and Handling

4.1 Symbol: GHS07, GHS08

4.1 Hazard Codes: Xn

4.1 Signal Word: Warning

4.1 Risk Statements: R20/21/22

4.1 Safety Statements: 22-36

4.1 Hazard Declaration: H302 + H312 + H332-H351

4.1 RIDADR: NONH for all modes of transport

4.1 Caution Statement: P261-P280-P301 + P312 + P330

4.1 WGK Germany: 3

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Dermal, Category 4

Acute toxicity - Inhalation, Category 4

Carcinogenicity, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed H312 Harmful in contact with skin H332 Harmful if inhaled H351 Suspected of causing cancer
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P271 Use only outdoors or in a well-ventilated area. P201 Obtain special instructions before use. P202 Do not handle until all safety precautions have been read and understood.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P312 Call a POISON CENTER/doctor/\u2026if you feel unwell. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P308+P313 IF exposed or concerned: Get medical advice/ attention.
Storage	P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. Synthesis Route

15262-86-9Total: 4 Synthesis Route

646-07-1 94 Suppliers

15262-86-9 319 Suppliers

Literatures:
Zborucki,Z. Roczniki Chemii,?1973 ,? vol.?47,?p.?2247 - 2253 ????????? ?
Yield: null

1639-43-6 8 Suppliers

15262-86-9 319 Suppliers

Literatures:
Zborucki,Z. Roczniki Chemii,?1973 ,? vol.?47,?p.?2247 - 2253 ????????? ?
Yield: null

52129-06-3

15262-86-9 319 Suppliers

Literatures:
Roczniki Chemii, , vol. 47, p. 2247 - 2253
Yield: null

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7. Precursor and Product

precursor:

52129-06-3

1639-43-6

646-07-1

52129-11-0

8. Other Information

8.0 Chemical Properties: White or almost white powder.

8.1 Uses: Androgen.

8.2 Description: Testosterone isocaproate is a testosterone ester with improved bioavailability and metabolic half life compared to the endogenous hormone.It used to testosterone replacement therapy in sterilization, missing testicle, hypopituitarism, and osteoporosis.

9. Computational chemical data

Molecular Weight: 386.576g/mol
Molecular Formula: C₂₅H₃₈O₃
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 386.28209507
Monoisotopic Mass: 386.28209507
Complexity: 677
Rotatable Bond Count: 5
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 3
Topological Polar Surface Area: 43.4
Heavy Atom Count: 28
Defined Atom Stereocenter Count: 6
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcfB4MAAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGgAAAAAADxSggAICCAAABACIAqDSCAAAAAAgAAAACAEAAEgAABIAAQACAAAEgAAIAQOIyPCPgAAAAAAAAACAAAQAACAAAIAADAAAAA==

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Testosterone Isocaproate