EcoDrugPlus


Synonyms	ETT-N ETTN Etrynit Propatyl nitrate Propatylnitrate WIN 9317 WIN-9317
Status
Molecule Category	Free-form
UNII	AJT2YN495R
EPA CompTox	DTXSID40183467


InChI Key	YZZCJYJBCUJISI-UHFFFAOYSA-N
Smiles	CCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]
InChI	InChI=1S/C6H11N3O9/c1-2-6(3-16-7(10)11,4-17-8(12)13)5-18-9(14)15/h2-5H2,1H3

Property Name	Value
Molecular Formula	C6H11N3O9
Molecular Weight	269.17
AlogP	0.01
Hydrogen Bond Acceptor	9.0
Number of Rotational Bond	10.0
Polar Surface Area	157.11
Heavy Atoms	18.0

Resources	Reference
ChEBI	135104
ChEMBL	CHEMBL488280
DrugBank	DB13255
DrugCentral	2295
FDA SRS	AJT2YN495R
PubChem	66261
SureChEMBL	SCHEMBL214199
ZINC	ZINC000008214664

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

PROPATYL NITRATE

Structure

Physicochemical Descriptors

Related Entries

Cross References