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Trestolone

CAT: 0926-FT167724-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-FT167724-02Size:1 g
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CAS Number
3764-87-2
Synonyms
MENT
MDL Number
MFCD00271620
Smiles
C[C@@H]1CC2=CC (=O) CC[C@@H]2[C@@H]3[C@@H]1[C@@H]4CC[C@@H] ([C@]4 (CC3) C) O
Molecular Formula
C19H28O2
Molecular Weight
288.42 g/mol
Controlled
Yes

Chemical Information

Trestolone

Trestolone (7α-methyl-19-nortestosterone) is a synthetic androgen developed by the Population Council as a potential candidate drug for use in hormonal male contraceptive methods. In males, regular administration of sufficient quantities of trestolone induces a state of temporary infertility.

CAS Number3764-87-2
PubChem CID9838899
IUPAC Name(7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-7,13-dimethyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Molecular FormulaC19H28O2
Molecular Weight288.4
XLogP2.9
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge0
Complexity494
SMILES
C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)O
InChI
InChI=1S/C19H28O2/c1-11-9-12-10-13(20)3-4-14(12)15-7-8-19(2)16(18(11)15)5-6-17(19)21/h10-11,14-18,21H,3-9H2,1-2H3/t11-,14+,15-,16+,17+,18-,19+/m1/s1
InChIKey
YSGQGNQWBLYHPE-CFUSNLFHSA-N
Chemical Structure
2D Structure
2D structure of Trestolone
CAS: 3764-87-2
CID: 9838899
Formula: C19H28O2
MW: 288.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.4
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass288.208930132
Monoisotopic Mass288.208930132
Topological Polar Surface Area37.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity494
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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BA9209-25Trestolone
HY-W744216-01Trestolone acetate
467990Trestolone-d3
TRC-KIT7595-10X1MLTrestolone (1.0mg/ml in Acetonitrile)
TRC-KIT7600-5X1MLTrestolone Acetate (1.0mg/ml in Acetonitrile)

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