EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7SF23403A0
EPA CompTox	DTXSID40185204

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7SF23403A0

EPA CompTox

DTXSID40185204


InChI Key	UCNQPYVHDCHENM-CGRIZKAYSA-N
Smiles	CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI	InChI=1S/C24H36O3/c1-4-5-6-22(26)27-21-10-9-19-18-8-7-16-15-17(25)11-13-23(16,2)20(18)12-14-24(19,21)3/h15,18-21H,4-14H2,1-3H3/t18-,19-,20-,21-,23-,24-/m0/s1

InChI Key

UCNQPYVHDCHENM-CGRIZKAYSA-N

Smiles

CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

InChI

InChI=1S/C24H36O3/c1-4-5-6-22(26)27-21-10-9-19-18-8-7-16-15-17(25)11-13-23(16,2)20(18)12-14-24(19,21)3/h15,18-21H,4-14H2,1-3H3/t18-,19-,20-,21-,23-,24-/m0/s1

Property Name	Value
Molecular Formula	C24H36O3
Molecular Weight	372.27
AlogP	5.62
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	4.0
Polar Surface Area	43.37
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C24H36O3

Molecular Weight

372.27

AlogP

5.62

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

4.0

Polar Surface Area

43.37

Heavy Atoms

27.0

Resources	Reference
CAS NUMBER	3129-43-9
NORMAN SUSDAT
FDA SRS	7SF23403A0
PubChem	102373
ChemSpider	92468.0

Resources

Reference

CAS NUMBER

3129-43-9

NORMAN SUSDAT

FDA SRS

7SF23403A0

PubChem

102373

ChemSpider

92468.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

TESTOSTERONE VALERATE

Structure

Physicochemical Descriptors

Cross References