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Estr-4-en-3-one,17-[(1-oxodecyl)oxy]-, (17b)-(CAS No. 360-70-3)

Estr-4-en-3-one,17-[(1-oxodecyl)oxy]-, (17b)- C28H44O3 (cas 360-70-3) Molecular Structure

360-70-3 Structure

Identification and Related Records

【Name】
Estr-4-en-3-one,17-[(1-oxodecyl)oxy]-, (17b)-
【Iupac name】
[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,
17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] decanoate
【CAS Registry number】
360-70-3
【Synonyms】
Estr-4-en-3-one,17b-hydroxy-, decanoate (6CI,7CI,8CI)
Decanoic acid, ester with 17b-hydroxyestr-4-en-3-one(8CI)
17b-Hydroxy-19-norandrost-4-en-3-one 17-decanoate
17b-Hydroxyestr-4-en-3-one17-decanoate
17b-Hydroxyestr-4-en-3-one decanoate
19-Nor-17b-hydroxy-3-ketoandrost-4-ene17-decanoate
19-Norandrostenolone decanoate
19-Nortestosterone 17b-decanoate
19-Nortestosterone decanoate
Anabolicum
Anabolin Forte
Deca-Durabol
Deca-Durabolin
Deca-Hybolin
Decanofort
Extraboline
Hybolin decanoate
Nandrobolic LA
Nandrolone decanoate
Norandrostenolone decanoate
Retabolil
【EINECS(EC#)】
206-639-3
【Molecular Formula】
C28H44O3 (Products with the same molecular formula)
【Molecular Weight】
428.64716
【Inchi】
InChI=1S/C28H44O3/c1-3-4-5-6-7-8-9-10-27(30)31-26-16-15-25-24-13-11-20-19-21(29)12-14-22(20)23(24)17-18-28(25,26)2/h19,22-26H,3-18H2,1-2H3/t22-,23+,24+,25-,26-,28-/m0/s1
【InChIKey】
JKWKMORAXJQQSR-MOPIKTETSA-N
【Canonical SMILES】
CCCCCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C
【Isomers smiles】
CCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)
C

Chemical and Physical Properties

【Appearance】
white to light yellow powder
【Density】
1.04g/cm3
【Melting Point】
33-37℃
【Boiling Point】
537.2°Cat760mmHg
【Refractive Index】
1.524?
【Flash Point】
226.8°C
【Alpha】
32 o
【Water】
45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.8 mg/mL
【Solubilities】
45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.8 mg/mL
【Color/Form】
white to light yellow
【Storage temp】
2-8°C
【Computed Properties】
Molecular Weight:428.64716 [g/mol]
Molecular Formula:C28H44O3
XLogP3:7.3
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:10
Tautomer Count:8
Exact Mass:428.329045
MonoIsotopic Mass:428.329045
Topological Polar Surface Area:43.4
Heavy Atom Count:31
Formal Charge:0
Complexity:680
Isotope Atom Count:0
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:4
Effective Rotor Count:11.8
Conformer Sampling RMSD:1
CID Conformer Count:150

Safety and Handling

【Hazard Codes】
Xn: Harmful;
【Risk Statements】
R40
【Safety Statements 】
22-36
【Safety】
Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes.
【Specification】

The IUPAC name of?Norandrostenolone decanoate is?[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] decanoate. With the?CAS registry number 360-70-3,?it is also named as (17-beta)-17-((1-Oxodecyl)oxy)estr-4-en-3-one. The?classification codes are Anabolic Agents;?Androgen;?Hormone;?Hormones;?Hormones, Hormone Substitutes, and Hormone Antagonists;?Reproductive Effect. It is?white to light yellow powder?with odorless taste.

The other characteristics of this product can be summarized as: (1)ACD/LogP:? 8.14; (2)# of Rule of 5 Violations:? 1; (3)ACD/LogD (pH 5.5):? 8.14; (4)ACD/LogD (pH 7.4):? 8.14; (5)#H bond acceptors:? 3; (6)#H bond donors:? 0; (7)#Freely Rotating Bonds:? 10; (8)Index of Refraction:? 1.524; (9)Molar Refractivity:? 125.08 cm3; (10)Molar Volume:? 408.3 cm3; (11)Polarizability:? 49.58×10-24 cm3; (12)Surface Tension:? 41.2 dyne/cm; (13)Enthalpy of Vaporization:? 81.4 kJ/mol; (14)Vapour Pressure:? 1.3E-11 mmHg at 25°C; (15)Rotatable Bond Count: 10; (16)Tautomer Count: 8; (17)Exact Mass: 428.329045; (18)MonoIsotopic Mass: 428.329045; (19)Topological Polar Surface Area: 43.4; (20)Heavy Atom Count: 31; (21)Complexity: 680.

Uses of Norandrostenolone decanoate: It is used?in the treatment of protein deficiency, such as chronic wasting disease, premature children, malnutrition, weight loss after surgery,?appetite, chronic diarrhea.?And it is?also for difficult to heal fractures, osteoporosis and so on.

When you are using this chemical, please be cautious about it as the following:
It has limited evidence of a carcinogenic effect.?And people should?not breathe dust.?If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C4\C=C2/[C@@H]([C@H]1CC[C@@]3([C@@H](OC(=O)CCCCCCCCC)CC[C@H]3[C@@H]1CC2)C)CC4
2.?InChI:InChI=1/C28H44O3/c1-3-4-5-6-7-8-9-10-27(30)31-26-16-15-25-24-13-11-20-19-21(29)12-14-22(20)23(24)17-18-28(25,26)2/h19,22-26H,3-18H2,1-2H3/t22-,23+,24+,25-,26-,28-/m0/s1

The following?is the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 566mg/kg (566mg/kg) ? Drugs in Japan Vol. 6, Pg. 541, 1982.

Biomedical Effects and Toxicity

【Pharmacological Action】
- These compounds stimulate anabolism and inhibit catabolism. They stimulate the development of muscle mass, strength, and power.

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