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Chemical Product CAS:303-42-4Androst-1-en-3-one,1-methyl-17-[(1-oxoheptyl)oxy]-, (5a,17b)-

CAS:303-42-4
Androst-1-en-3-one,1-methyl-17-[(1-oxoheptyl)oxy]-, (5a,17b)-

  • CAS No:

    303-42-4
  • Name:

    Androst-1-en-3-one,1-methyl-17-[(1-oxoheptyl)oxy]-, (5a,17b)-
  • Molecular Formula:

    C27H42O3
  • Molecular Weight:

    414.62
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Androst-1-en-3-one,1-methyl-17-[(1-oxoheptyl) ( CASNO:303-42-4 )

Identification and Related Records
Name:
Androst-1-en-3-one,1-methyl-17-[(1-oxoheptyl)oxy]-, (5a,17b)-
CAS Registry number:
303-42-4
Iupac name:
[(5S,8R,9S,10S,13S,14S,17S)-1,10,13-trimethyl-3-oxo-4,5,6,7,8,9,11,12,
14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate
Synonyms:
5a-Androst-1-en-3-one, 17b-hydroxy-1-methyl-, heptanoate(6CI,8CI)
1-Methyl-17b-hydroxy-5a-androst-1-en-3-oneenanthate
1-Methyl-D1-androsten-17b-ol-3-one enanthate
17b-Hydroxy-1-methyl-5a-androst-1-en-3-one 17b-enanthate
17b-Hydroxy-1-methyl-5a-androst-1-en-3-one heptanoate
Metenolone enanthate
Methenolone17-enanthate
NSC 64967
Primobolan Depot
SH 601
SQ 16374
EINECS(EC#):
206-141-6
Molecular Formula:
C27H42O3
Molecular Weight:
414.62
Inchi:
InChI=1/C27H42O3/c1-5-6-7-8-9-25(29)30-24-13-12-22-21-11-10-19-17-20(28)16-18(2)27(19,4)23(21)14-15-26(22,24)3/h16,19,21-24H,5-15,17H2,1-4H3/t19-,21-,22-,23-,24-,26-,27-/m0/s1
Canonical SMILES:
CCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4C3(C(=CC(=O)C4)C)C)C
Isomers smiles:
CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C(=CC(=
O)C4)C)C)C
Chemical and Physical Properties
Density:
1.05 g/cm3
Boiling Point:
504.3 °C at 760 mmHg
Refractive Index:
1.525
Flash Point:
213.1 °C
Computed Properties:
Molecular Weight:414.62058 [g/mol]
Molecular Formula:C27H42O3
XLogP3-AA:6.9
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:7
Tautomer Count:5
Exact Mass:414.313395
MonoIsotopic Mass:414.313395
Topological Polar Surface Area:43.4
Heavy Atom Count:30
Formal Charge:0
Complexity:709
Isotope Atom Count:0
Defined Atom Stereocenter Count:7
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:2
Feature 3D Ring Count:4
Effective Rotor Count:8.6
Conformer Sampling RMSD:1
CID Conformer Count:21
Safety and Handling
Specification:
The Methenolone enanthate, with the cas registry number 303-42-4, has its systematic name of(5alpha,17beta)-1-methyl-3-oxoandrost-1-en-17-yl heptanoate, and its IUPAC name is (1,10,13-trimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) heptanoate. And it belngs to the product categories which are Steroids.
?
The characteristics of this chemical are as follows: (1)#H bond acceptors: 3; (2)#Freely Rotating Bonds: 7; (3)Polar Surface Area: 43.37; (4)Index of Refraction: 1.525; (5)Molar Refractivity: 120.45 cm3; (6)Molar Volume: 392.5 cm3; (7)Polarizability: 47.75 ×10-24 cm3; (8)Surface Tension: 40.5 dyne/cm; (9)Density: 1.05 g/cm3; (10)Flash Point: 213.1 °C; (11)Enthalpy of Vaporization: 77.37 kJ/mol; (12)Boiling Point: 504.3 °C at 760 mmHg; (13)Vapour Pressure: 2.69E-10 mmHg at 25°C; (14)Exact Mass: 414.313395; (15)MonoIsotopic Mass: 414.313395; (16)Topological Polar Surface Area: 43.4; (17)Heavy Atom Count: 30; (18)Complexity: 709. Additionally, the following data information could be converted into the molecular structure:
(1)SMILES:O=C2\C=C(\C)[C@@]3([C@H]1CC[C@@]4([C@@H](OC(=O)CCCCCC)CC[C@H]4[C@@H]1CC[C@H]3C2)C)C
(2)InChI:InChI=1/C27H42O3/c1-5-6-7-8-9-25(29)30-24-13-12-22-21-11-10-19-17-20(28)16-18(2)27(19,4)23(21)14-15-26(22,24)3/h16,19,21-24H,5-15,17H2,1-4H3/t19-,21-,22-,23-,24-,26-,27-/m0/s1
(3)InChIKey:TXUICONDJPYNPY-FRXWOFFRBE
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