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Chemical Product CAS:57-85-2Androst-4-en-3-one,17-(1-oxopropoxy)-, (17b)-

CAS:57-85-2
Androst-4-en-3-one,17-(1-oxopropoxy)-, (17b)-

  • CAS No:

    57-85-2
  • Name:

    Androst-4-en-3-one,17-(1-oxopropoxy)-, (17b)-
  • Molecular Formula:

    C22H32O3
  • Molecular Weight:

    344.48768
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Androst-4-en-3-one,17-(1-oxopropoxy)-, (17b)- ( CASNO:57-85-2 )

Identification and Related Records
Name:
Androst-4-en-3-one,17-(1-oxopropoxy)-, (17b)-
CAS Registry number:
57-85-2
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] propanoate
Synonyms:
Testosterone,propionate (8CI)
17b-(Propionyloxy)androst-4-en-3-one
Agovirin
Androlon
Bio-testiculina
Enarmon
Enarmon-oil
Homandren
Hormoteston
Masenate
Nasdol
Orchisterone
Orchistin
Oreton
Pantestin
Primotestone
Propiokan
Sterandryl
Synerone
TP
Telipex
Testaform
Testex
Testonique
Testosid
Testosterone-17-propionate
Testrex
Testosterone Propionate
17-(1-oxopropoxy)-(17b)-androst-4-en-3-one
EINECS(EC#):
200-351-1
Molecular Formula:
C22H32O3
Molecular Weight:
344.48768
Inchi:
InChI=1S/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19-,21-,22-/m0/s1
InChIKey:
PDMMFKSKQVNJMI-BLQWBTBKSA-N
Canonical SMILES:
CCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
Isomers smiles:
CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
Chemical and Physical Properties
Appearance:
white to off-white crystalline powder
Density:
1.1g/cm3
Melting Point:
118℃
Boiling Point:
454.6°Cat760mmHg
Refractive Index:
1.537
Flash Point:
196.3°C
Water:
Insoluble
Solubilities:
Insoluble
Color/Form:
white
Stability:
No data.
Storage temp:
Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.
Computed Properties:
Molecular Weight:344.48768 [g/mol]
Molecular Formula:C22H32O3
XLogP3:4.4
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:3
Tautomer Count:5
Exact Mass:344.235145
MonoIsotopic Mass:344.235145
Topological Polar Surface Area:43.4
Heavy Atom Count:25
Formal Charge:0
Complexity:621
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:4.8
Conformer Sampling RMSD:0.8
CID Conformer Count:3
Safety and Handling
Hazard Codes:
T
Risk Statements:
R45
Safety Statements:
S45;S53;S36;S37
Safety:
Hazard Codes:T
Risk Statements:45-22-63
45:May cause cancer
22:Harmful if swallowed
63:Possible risk of harm to the unborn child
Safety Statements:53-36/37-45
53:Avoid exposure - obtain special instruction before use
36/37:Wear suitable protective clothing and gloves
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
RIDADR:2811
WGK Germany:3
Transport:
5kgs
Specification:
The Testosterone Propionate, with the cas registry number 57-85-2, has its systematic name of (17beta)-3-oxoandrost-4-en-17-yl propanoate. This is a kind of white solid and is insoluble in water, and it belongs to the product categories of steroids. As to its usage, it is usually applied for curing breast cancer, oophoroma, myoma of uterus, Huppert's [Kahler's] disease, kidney cancer and so on. The characteristics of this chemical are as following: (1)ACD/LogP: 4.90 ; (2)ACD/LogD (pH 5.5): 4.9; (3)ACD/LogD (pH 7.4): 4.9; (4)ACD/BCF (pH 5.5): 3132.11; (5)ACD/BCF (pH 7.4): 3132.11; (6)ACD/KOC (pH 5.5): 11064.07; (7)ACD/KOC (pH 7.4): 11064.07; (8)#H bond acceptors: 3? ; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 43.37; (11)Index of Refraction: 1.537; (12)Molar Refractivity: 97.32 cm3; (13)Molar Volume: 311.2 cm3; (14)Polarizability: 38.58 ×10-24 cm3; (15)Surface Tension: 42 dyne/cm; (16)Density: 1.1 g/cm3; (17)Flash Point: 196.3 °C; (18)Enthalpy of Vaporization: 71.42 kJ/mol; (19)Boiling Point: 454.6 °C at 760 mmHg; (20)Vapour Pressure: 1.89E-08 mmHg at 25°C; (21)Tautomer Count: 5 ; (22)Exact Mass: 344.235145 ; (23)MonoIsotopic Mass: 344.235145 ; (24)Topological Polar Surface Area: 43.4 ; (25)Heavy Atom Count: 25. When you deal with this chemical, you should be very cautious. For as a kind of toxic chemical, it may at low levels cause damage to health, and even could cause cancer. If swallowed, it is very harmful; Besides, it has possible risk of harm to the unborn child. Therefore, you should take the following instructions. Wear suitable protective clothing and gloves, and avoid exposure - obtain special instructions before use. If in case of accident or if you feel unwell seek medical advice immediately (show the label where possible).? In addition, you could convert the following datas into the molecular structure:
(1)SMILES:O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](OC(=O)CC)CC[C@H]3[C@@H]1CC2)C)(C)CC4
(2)InChI:InChI=1/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19-,21-,22-/m0/s1 Below are the toxicity information of this chemical:
Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 970mg/kg (970mg/kg) ? Drugs in Japan Vol. 6, Pg. 487, 1982.
mouse LD50 oral 1350mg/kg (1350mg/kg) ? Drugs in Japan Vol. 6, Pg. 487, 1982.
mouse LD50 subcutaneous > 5gm/kg (5000mg/kg) ? Drugs in Japan Vol. 6, Pg. 487, 1982.
rat LD50 intraperitoneal 585mg/kg (585mg/kg) ? Drugs in Japan Vol. 6, Pg. 487, 1982.
rat LD50 oral 1gm/kg (1000mg/kg) ? Drugs in Japan Vol. 6, Pg. 487, 1982.
rat LD50 subcutaneous > 5gm/kg (5000mg/kg) ? Drugs in Japan Vol. 6, Pg. 487, 1982.
Use and Manufacturing
Usage:
Anabolic steroid. Androgen.Controlled substance.
Biomedical Effects and Toxicity
Therapeutic Uses:
Anabolic steroid. Androgen.Controlled substance.
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