EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	W1309SNY8U
EPA CompTox	DTXSID6057823

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

W1309SNY8U

EPA CompTox

DTXSID6057823


InChI Key	ICNIVTHKZKRHPD-YNFNDHOQSA-N
Smiles	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2OC(=O)CCc1ccco1
InChI	InChI=1S/C25H32O4/c1-25-13-12-20-19-8-5-17(26)15-16(19)4-7-21(20)22(25)9-10-23(25)29-24(27)11-6-18-3-2-14-28-18/h2-3,14-15,19-23H,4-13H2,1H3/t19-,20+,21+,22-,23-,25-/m0/s1

InChI Key

ICNIVTHKZKRHPD-YNFNDHOQSA-N

Smiles

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2OC(=O)CCc1ccco1

InChI

InChI=1S/C25H32O4/c1-25-13-12-20-19-8-5-17(26)15-16(19)4-7-21(20)22(25)9-10-23(25)29-24(27)11-6-18-3-2-14-28-18/h2-3,14-15,19-23H,4-13H2,1H3/t19-,20+,21+,22-,23-,25-/m0/s1

Property Name	Value
Molecular Formula	C25H32O4
Molecular Weight	396.23
AlogP	5.27
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	4.0
Polar Surface Area	56.51
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C25H32O4

Molecular Weight

396.23

AlogP

5.27

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

4.0

Polar Surface Area

56.51

Heavy Atoms

29.0

Resources	Reference
CAS NUMBER	7642-64-0
NORMAN SUSDAT
FDA SRS	W1309SNY8U
PubChem	111318
ChemSpider	99880.0

Resources

Reference

CAS NUMBER

7642-64-0

NORMAN SUSDAT

FDA SRS

W1309SNY8U

PubChem

111318

ChemSpider

99880.0

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

NANDROLONE FURYLPROPIONATE

Structure

Physicochemical Descriptors

Cross References