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Home> Encyclopedia >   /  Hormones and synthetic substitutes  /  Pharmaceutical Intermediates  /  Pharmaceutical  /  Ester & Derivatives  /  Other Inorganic Chemicals
Estra-4,9,11-trien-3-one,17-(acetyloxy)-, (17b)- structure
Estra-4,9,11-trien-3-one,17-(acetyloxy)-, (17b)- structure

Estra-4,9,11-trien-3-one,17-(acetyloxy)-, (17b)-

Iupac Name:[(8S,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,14,15,16,
17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
CAS No.:10161-34-9
Molecular Weight:312.40276
Introduction: Trenbolone acetate (brand name: Revalor) is a 19-nortestosterone derivative and a synthetic, injected anabolic-androgenic steroid that is used in veterinary medicine. It is a highly efficient anabolic steroid that can greatly enhance the performance of athletes. Trenbolone acetate has several physiological effects. First, it can greatly promote insulin-like growth factor-1 (IGF-1). IGF-1 is a powerful and natural anabolic hormone that of great importance for muscle tissue development. Secondly, it can greatly increase the red blood cell count, further increasing blood oxygen and enhancing muscular endurance. Moreover, it can inhibit the glucocorticoid hormone, a hormone that destroy muscle tissue and promote fat. Finally, it can improve nutrient uptake and consumption efficiency.
1. Names and Identifiers
1.1 Name
Estra-4,9,11-trien-3-one,17-(acetyloxy)-, (17b)-
1.2 Synonyms

finaplix revalor-h Revalor-H Trenbolone acetate ru1697 Trenbolone Acetate 98%Min (Revalor-H) Trenbolone Acetate API Trenbolone Acetate(Revalor-H) trienboloneacetate

1.3 CAS No.
10161-34-9
1.4 CID
66359
1.5 EINECS(EC#)
233-432-5
1.6 Molecular Formula
C20H24O3 (isomer)
1.7 Inchi
InChI=1/C20H24O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h9-11,17-19H,3-8H2,1-2H3/t17-,18+,19+,20+/m1/s1
1.8 InChkey
CMRJPMODSSEAPL-FYQPLNBISA-N
1.9 Canonical Smiles
CC(=O)OC1CCC2C1(C=CC3=C4CCC(=O)C=C4CCC23)C
1.10 Isomers Smiles
CC(=O)O[C@H]1CC[C@@H]2[C@@]1(C=CC3=C4CCC(=O)C=C4CC[C@@H]23)C
2. 3D Conformer
3. Properties
3.1 Density
1.18
3.2 Melting Point
90-92°C
3.3 Boiling Point
486.7 °C at 760 mmHg
3.4 Vapour
1.26E-09mmHg at 25°C
3.5 Refractive Index
1.576
3.6 Flash Point
214.7 °C
3.7 Alpha
D20 +36.8° (c = 0.37 in methanol)
3.8 Appearance
yellow crystalline powder
3.9 Chemical Properties
Pale Yellow Solid
3.10 Color/Form
Powder
3.11 StorageTemp
0-6°C
4. Use and Manufacturing
4.1 Usage
A steroid used to increase the muscle growth of livestock.
5. Safety and Handling
5.1 Hazard Codes
F; Xi
5.2 Risk Statements
60
5.3 Safety Statements
22-36/37/39-45
5.4 HazardClass
3
5.4 Transport
UN 3077 9 / PGIII
5.5 Safety
Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating vapors.
5.6 Specification

The Trenbolone Acetate is hormone medicines with the formula?C20H24O3.?The IUPAC name of this?chemical is?[(8S,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate. With the?CAS registry number 10161-34-9, it is also named as?17-beta-(Acetyloxy)estra-4,9,11-trien-3-one.?The classification codes are Anabolic [veterinary] and Reproductive Effect.?Additionally, it is yellow or yellow-white crystalline powder?which must be sealed in the container and the container should be stored at 2-8 °C.?When heated to decomposition it emits acrid smoke and irritating vapors. Furthermore, Trenbolone Acetate is not dangerous to the water, but people should not release the material to the environment without permits by government.

The other characteristics of this product can be summarized as:?(1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.16; (4)ACD/LogD (pH 7.4): 3.16; (5)ACD/BCF (pH 5.5): 149.03; (6)ACD/BCF (pH 7.4): 149.03; (7)ACD/KOC (pH 5.5): 1250.93; (8)ACD/KOC (pH 7.4): 1250.93; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.576; (13)Molar Refractivity: 87.44 cm3; (14)Molar Volume: 264.1 cm3; (15)Polarizability: 34.66×10-24 cm3; (16)Surface Tension: 45.4 dyne/cm; (17)Enthalpy of Vaporization: 75.25 kJ/mol; (18)Vapour Pressure: 1.26E-09 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Tautomer Count: 13; (21)Exact Mass: 312.172545; (22)MonoIsotopic Mass: 312.172545; (23)Topological Polar Surface Area: 43.4; (24)Heavy Atom Count: 23.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C4\C=C2/C(=C1/C=C\[C@@]3([C@@H](OC(=O)C)CC[C@H]3[C@@H]1CC2)C)CC4
2.?InChI:InChI=1/C20H24O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h9-11,17-19H,3-8H2,1-2H3/t17-,18+,19+,20+/m1/s1

6. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Reproductive toxicity, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H360 May damage fertility or the unborn child

Precautionary statement(s)
Prevention

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

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

7. Computational chemical data
  • Molecular Weight:312.40276g/mol
  • Molecular Formula:C20H24O3
  • Exact Mass:312.172545
  • Monoisotopic Mass:312.172545
  • Complexity:666
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:43.4
  • Heavy Atom Count:23
  • Defined Atom Stereocenter Count:4
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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