EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	35X333P19D
EPA CompTox	DTXSID9022990

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

35X333P19D

EPA CompTox

DTXSID9022990


InChI Key	SNFOERUNNSHUGP-ZXZARUISSA-N
Smiles	O=[N+]([O-])OC[C@H](O[N+](=O)[O-])[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-]
InChI	InChI=1S/C4H6N4O12/c9-5(10)17-1-3(19-7(13)14)4(20-8(15)16)2-18-6(11)12/h3-4H,1-2H2/t3-,4+

InChI Key

SNFOERUNNSHUGP-ZXZARUISSA-N

Smiles

O=[N+]([O-])OC[C@H](O[N+](=O)[O-])[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C4H6N4O12/c9-5(10)17-1-3(19-7(13)14)4(20-8(15)16)2-18-6(11)12/h3-4H,1-2H2/t3-,4+

Property Name	Value
Molecular Formula	C4H6N4O12
Molecular Weight	302.0
AlogP	-1.44
Hydrogen Bond Acceptor	12.0
Number of Rotational Bond	11.0
Polar Surface Area	209.48
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C4H6N4O12

Molecular Weight

302.0

AlogP

-1.44

Hydrogen Bond Acceptor

12.0

Number of Rotational Bond

11.0

Polar Surface Area

209.48

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	7297-25-8
NORMAN SUSDAT
FDA SRS	35X333P19D
PubChem	5284553

Resources

Reference

CAS NUMBER

7297-25-8

NORMAN SUSDAT

FDA SRS

35X333P19D

PubChem

5284553

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

ERYTHRITYL TETRANITRATE

Structure

Physicochemical Descriptors

Cross References