Structure Database (LMSD)
Common Name
4-Chlorotestosterone
Systematic Name
4-chloro-17β-hydroxyandrost-4-en-3-one
Synonyms
- Clostebol
LM ID
LMST02020019
Formula
C19H27O2Cl
Exact Mass
Calculate m/z
322.169958
Status
Active
3D model of 4-Chlorotestosterone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
synthetic construct
(#32630)
The Dictionary of Drugs: Chemical Data: Chemical Data, Structures and Bibliographies. Springer.
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
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
Admin
Created at
-
Updated at
4th Feb 2021