EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	SBC76K7XWC
EPA CompTox	DTXSID10868996

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

SBC76K7XWC

EPA CompTox

DTXSID10868996


InChI Key	BLGFGFHRMMDRPC-UHFFFAOYSA-N
Smiles	O=C1C=2C=CC=CC2C(OCC)C=3C=CC=CC3N1C
InChI	InChI=1/C17H17NO2/c1-3-20-16-12-8-4-5-9-13(12)17(19)18(2)15-11-7-6-10-14(15)16/h4-11,16H,3H2,1-2H3

InChI Key

BLGFGFHRMMDRPC-UHFFFAOYSA-N

Smiles

O=C1C=2C=CC=CC2C(OCC)C=3C=CC=CC3N1C

InChI

InChI=1/C17H17NO2/c1-3-20-16-12-8-4-5-9-13(12)17(19)18(2)15-11-7-6-10-14(15)16/h4-11,16H,3H2,1-2H3

Property Name	Value
Molecular Formula	C17H17NO2
Molecular Weight	267.13
AlogP	3.4
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	29.54
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C17H17NO2

Molecular Weight

267.13

AlogP

3.4

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

29.54

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	88124-27-0
NORMAN SUSDAT
FDA SRS	SBC76K7XWC
PubChem	65662

Resources

Reference

CAS NUMBER

88124-27-0

NORMAN SUSDAT

FDA SRS

SBC76K7XWC

PubChem

65662

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

ETAZEPINE

Structure

Physicochemical Descriptors

Cross References