EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	IQV1O83D1H

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

IQV1O83D1H


InChI Key	SDMIOFRAYIQSKO-UHFFFAOYSA-N
Smiles	N1c2ccccc2[As](O[As]3c4ccccc4Nc5ccccc35)c6ccccc16
InChI	InChI=1S/C24H18As2N2O/c1-5-13-21-17(9-1)25(18-10-2-6-14-22(18)27-21)29-26-19-11-3-7-15-23(19)28-24-16-8-4-12-20(24)26/h1-16,27-28H

InChI Key

SDMIOFRAYIQSKO-UHFFFAOYSA-N

Smiles

N1c2ccccc2[As](O[As]3c4ccccc4Nc5ccccc35)c6ccccc16

InChI

InChI=1S/C24H18As2N2O/c1-5-13-21-17(9-1)25(18-10-2-6-14-22(18)27-21)29-26-19-11-3-7-15-23(19)28-24-16-8-4-12-20(24)26/h1-16,27-28H

Property Name	Value
Molecular Formula	C24H18As2N2O1
Molecular Weight	499.99
AlogP	2.73
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	33.29
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C24H18As2N2O1

Molecular Weight

499.99

AlogP

2.73

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

33.29

Heavy Atoms

29.0

Resources	Reference
CAS NUMBER	4095-45-8
NORMAN SUSDAT
FDA SRS	IQV1O83D1H

Resources

Reference

CAS NUMBER

4095-45-8

NORMAN SUSDAT

FDA SRS

IQV1O83D1H

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...

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Last update: Monday, 3 November 2025

PHENARSAZINE OXIDE

Structure

Physicochemical Descriptors

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