EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	WNM9RLH5X9
EPA CompTox	DTXSID30178625

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

WNM9RLH5X9

EPA CompTox

DTXSID30178625


InChI Key	RAZLJUXJEOEYAM-UHFFFAOYSA-N
Smiles	OC(=O)CN(CCN1CC(=O)OC(=O)C1)CCN1CC(=O)OC(=O)C1
InChI	InChI=1S/C14H19N3O8/c18-10(19)5-15(1-3-16-6-11(20)24-12(21)7-16)2-4-17-8-13(22)25-14(23)9-17/h1-9H2,(H,18,19)

InChI Key

RAZLJUXJEOEYAM-UHFFFAOYSA-N

Smiles

OC(=O)CN(CCN1CC(=O)OC(=O)C1)CCN1CC(=O)OC(=O)C1

InChI

InChI=1S/C14H19N3O8/c18-10(19)5-15(1-3-16-6-11(20)24-12(21)7-16)2-4-17-8-13(22)25-14(23)9-17/h1-9H2,(H,18,19)

Property Name	Value
Molecular Formula	C14H19N3O8
Molecular Weight	357.12
AlogP	-2.86
Hydrogen Bond Acceptor	10.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	8.0
Polar Surface Area	133.76
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C14H19N3O8

Molecular Weight

357.12

AlogP

-2.86

Hydrogen Bond Acceptor

10.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

8.0

Polar Surface Area

133.76

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	23911-26-4
NORMAN SUSDAT
FDA SRS	WNM9RLH5X9
PubChem	16760401
ChemSpider	91101.0

Resources

Reference

CAS NUMBER

23911-26-4

NORMAN SUSDAT

FDA SRS

WNM9RLH5X9

PubChem

16760401

ChemSpider

91101.0

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, 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

CYCLIC DTPA ANHYDRIDE

Structure

Physicochemical Descriptors

Cross References