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


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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
CHEBI ID
LIPIDBANK ID
SST0162
PubChem CID
Cayman ID

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
-
Updated at
4th Feb 2021