EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	S312EY6ZT8
EPA CompTox	DTXSID80869253

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

S312EY6ZT8

EPA CompTox

DTXSID80869253


InChI Key	WOIWWYDXDVSWAZ-RTWAWAEBSA-N
Smiles	OC(=O)[C@@H]1C[C@H](CN1C(=O)C[P](O)(=O)CCCCc2ccccc2)C3CCCCC3
InChI	InChI=1S/C23H34NO5P/c25-22(17-30(28,29)14-8-7-11-18-9-3-1-4-10-18)24-16-20(15-21(24)23(26)27)19-12-5-2-6-13-19/h1,3-4,9-10,19-21H,2,5-8,11-17H2,(H,26,27)(H,28,29)/t20-,21+/m1/s1

InChI Key

WOIWWYDXDVSWAZ-RTWAWAEBSA-N

Smiles

OC(=O)[C@@H]1C[C@H](CN1C(=O)C[P](O)(=O)CCCCc2ccccc2)C3CCCCC3

InChI

InChI=1S/C23H34NO5P/c25-22(17-30(28,29)14-8-7-11-18-9-3-1-4-10-18)24-16-20(15-21(24)23(26)27)19-12-5-2-6-13-19/h1,3-4,9-10,19-21H,2,5-8,11-17H2,(H,26,27)(H,28,29)/t20-,21+/m1/s1

Property Name	Value
Molecular Formula	C23H34N1O5P1
Molecular Weight	435.22
AlogP	4.16
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	9.0
Polar Surface Area	94.91
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C23H34N1O5P1

Molecular Weight

435.22

AlogP

4.16

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

9.0

Polar Surface Area

94.91

Heavy Atoms

30.0

Resources	Reference
CAS NUMBER	95399-71-6
NORMAN SUSDAT
FDA SRS	S312EY6ZT8

Resources

Reference

CAS NUMBER

95399-71-6

NORMAN SUSDAT

FDA SRS

S312EY6ZT8

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

FOSINOPRILIC ACID

Structure

Physicochemical Descriptors

Cross References