EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	5A9SS67K16
EPA CompTox	DTXSID20934772

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

5A9SS67K16

EPA CompTox

DTXSID20934772


InChI Key	HDGFUOKLIQJQCS-UHFFFAOYSA-O
Smiles	[I-].C[N+]1(CCCCCC1)CCC(C(N)=O)(c2ccccc2)c3ccccc3
InChI	InChI=1S/C23H30N2O/c1-25(17-10-2-3-11-18-25)19-16-23(22(24)26,20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-9,12-15H,2-3,10-11,16-19H2,1H3,(H-,24,26)/p+1

InChI Key

HDGFUOKLIQJQCS-UHFFFAOYSA-O

Smiles

[I-].C[N+]1(CCCCCC1)CCC(C(N)=O)(c2ccccc2)c3ccccc3

InChI

InChI=1S/C23H30N2O/c1-25(17-10-2-3-11-18-25)19-16-23(22(24)26,20-12-6-4-7-13-20)21-14-8-5-9-15-21/h4-9,12-15H,2-3,10-11,16-19H2,1H3,(H-,24,26)/p+1

Property Name	Value
Molecular Formula	C23H31N2O1
Molecular Weight	351.24
AlogP	4.92
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	44.08
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C23H31N2O1

Molecular Weight

351.24

AlogP

4.92

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

44.08

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	15351-05-0
NORMAN SUSDAT
FDA SRS	5A9SS67K16

Resources

Reference

CAS NUMBER

15351-05-0

NORMAN SUSDAT

FDA SRS

5A9SS67K16

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

BUZEPIDE METIODIDE

Structure

Physicochemical Descriptors

Cross References