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
Download as...
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

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

Admin

Created at
-
Updated at
4th Feb 2021