Structure Database (LMSD)

Common Name
4-Chlorotestosterone
Systematic Name
4-chloro-17β-hydroxyandrost-4-en-3-one
Synonyms
  • Clostebol
LM ID
LMST02020019
Status
Active
Exact Mass
Calculate m/z
322.169958
Formula
C19H27O2Cl
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Steroids [ST02]
C19 steroids (androgens) and derivatives [ST0202]

String Representations

InChiKey (Click to copy)
KCZCIYZKSLLNNH-FBPKJDBXSA-N
InChi (Click to copy)
InChI=1S/C19H27ClO2/c1-18-10-8-15(21)17(20)14(18)4-3-11-12-5-6-16(22)19(12,2)9-7-13(11)18/h11-13,16,22H,3-10H2,1-2H3/t11-,12-,13-,16-,18+,19-/m0/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]3([H])CCC2=C(Cl)C(=O)C1

References

Reference
Synthetic anabolic steroid
The Dictionary of Drugs: Chemical Data: Chemical Data, Structures and Bibliographies. Springer. pp. 305–. ISBN 978-1-4757-2085-3.

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
The Dictionary of Drugs: Chemical Data: Chemical Data, Structures and Bibliographies. Springer.

Other Databases

Wikipedia
4-Chlorotestosterone
CHEBI ID
135372
LIPIDBANK ID
SST0162
PubChem CID
68947
Cayman ID
21168

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 315.33
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.73
Molar Refractivity 88.02

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Created at
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Updated at
4th Feb 2021