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ChemSpider ID: |
20581259
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Empirical Formula: |
C21H28O2
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Molecular Weight: |
312.4458
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Nominal Mass: |
312
Da
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Average Mass: |
312.4458
Da
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Monoisotopic Mass: |
312.20893
Da
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Systematic Name: |
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SMILES: |
O=C/4CCC=3\C(\CCC2C=3\C=C/[C@@]1(CC)C2CC[C@@]1(O)CC)=C\4
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InChI: |
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InChIKey: |
-
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Description
Tetrahydrogestrinone (often referred to as THG or The Clear) is an anabolic steroid. It has affinity to the androgen receptor and the progesterone receptor, but not to the estrogen receptor. The drug has been considered a designer drug, closely related to the banned anabolic steroids gestrinone and trenbolone, and was banned by the Food and Drug Administration (FDA) at the end of 2003.
Tags
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Anabolic steroid
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Lusuceutical
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User Data
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Index_of_Refraction
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1.583+/-0.03
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Surface_Tension
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46.1+/-5.0 dyne/cm
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ACD_FP
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214.2+/-22.7
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Polarizability
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36.38+/-0.5 10^{-24}cm^{3}
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Dielectric_Constant
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Cannot calculate
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ACD_EnthalpyOfVaporization
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89.29+/-6.0
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LogP_PSA
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37.30
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ACD_LogP
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3.873+/-0.371
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Molecular_Formula
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C_{21}H_{28}O_{2}
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SMILES
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O=C/4CCC=3\C(\CCC2C=3\C=C/[C@@]1(CC)C2CC[C@@]1(O)CC)=C\4
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LogP_HAcceptors
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2
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Molar_Volume
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274.5+/-5.0 cm^{3}
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Nominal_Mass
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312 Da
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Parachor
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715.6+/-6.0 cm^{3}
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Density
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1.13+/-0.1 g/cm^{3}
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InChIKey
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InChIKey=OXHNQTSIKGHVBH-JSRAGOMMBO
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ACD_BP_1
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505.7+/-50.0
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Molecular_Weight
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312.4458
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InChI
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InChI=1/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h9,11,13,18-19,23H,3-8,10,12H2,1-2H3/t18?,19?,20-,21-/m0/s1
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Monoisotopic_Mass
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312.20893 Da
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LogP_RuleOf5
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0
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Molar_Refractivity
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91.78+/-0.4 cm^{3}
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Average_Mass
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312.4458 Da
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LogP_FreelyRotatableBonds
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3
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LogP_HDonors
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1
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users,
Redirected by Users, Redirect Approved by Experts
tetrahydrogestrinone
rel-(13R,17R)-13,17-Diethyl-17-hydroxy-1,2,6,7,8,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one
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LogP: |
ACD/LogP:
3.87
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# of Rule of 5 Violations: |
0
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ACD/LogD (pH 5.5): |
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ACD/LogD (pH 7.4): |
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ACD/BCF (pH 5.5): |
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ACD/BCF (pH 7.4): |
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ACD/KOC (pH 5.5): |
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ACD/KOC (pH 7.4): |
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#H bond acceptors: |
2
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#H bond donors: |
1
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#Freely Rotating Bonds: |
3
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Polar Surface Area: |
37.3
Å2
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Index of Refraction: |
1.583
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Molar Refractivity: |
91.78
cm3
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Molar Volume: |
274.5
cm3
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Polarizability: |
36.38
10-24cm3
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Surface Tension: |
46.1
dyne/cm
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Density: |
1.13
g/cm3
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Flash Point: |
214.2
°C
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Enthalpy of Vaporization: |
89.29
kJ/mol
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Boiling Point: |
505.7
°C at 760 mmHg
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Vapour Pressure: |
mmHg at 25°C
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