EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	9844OS3B0J
EPA CompTox	DTXSID20945267

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

9844OS3B0J

EPA CompTox

DTXSID20945267


InChI Key	VZWXXKDFACOXNT-UHFFFAOYSA-N
Smiles	O=C(OCCOCCC)C1=C(NC(=C(C(=O)OCCOCCC)C1C=2C=CC=C(C2)N(=O)=O)C)C
InChI	InChI=1/C25H34N2O8/c1-5-10-32-12-14-34-24(28)21-17(3)26-18(4)22(25(29)35-15-13-33-11-6-2)23(21)19-8-7-9-20(16-19)27(30)31/h7-9,16,23,26H,5-6,10-15H2,1-4H3

InChI Key

VZWXXKDFACOXNT-UHFFFAOYSA-N

Smiles

O=C(OCCOCCC)C1=C(NC(=C(C(=O)OCCOCCC)C1C=2C=CC=C(C2)N(=O)=O)C)C

InChI

InChI=1/C25H34N2O8/c1-5-10-32-12-14-34-24(28)21-17(3)26-18(4)22(25(29)35-15-13-33-11-6-2)23(21)19-8-7-9-20(16-19)27(30)31/h7-9,16,23,26H,5-6,10-15H2,1-4H3

Property Name	Value
Molecular Formula	C25H34N2O8
Molecular Weight	490.23
AlogP	3.77
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	14.0
Polar Surface Area	126.23
Heavy Atoms	35.0

Property Name

Value

Molecular Formula

C25H34N2O8

Molecular Weight

490.23

AlogP

3.77

Hydrogen Bond Acceptor

9.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

14.0

Polar Surface Area

126.23

Heavy Atoms

35.0

Resources	Reference
CAS NUMBER	22609-73-0
NORMAN SUSDAT
FDA SRS	9844OS3B0J
PubChem	89767

Resources

Reference

CAS NUMBER

22609-73-0

NORMAN SUSDAT

FDA SRS

9844OS3B0J

PubChem

89767

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

NILUDIPINE

Structure

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