EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	85UZS3DN56
EPA CompTox	DTXSID50238215

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

85UZS3DN56

EPA CompTox

DTXSID50238215


InChI Key	CXYNGWAHZKOMJQ-UHFFFAOYSA-N
Smiles	O=C1CC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)O1
InChI	InChI=1S/C22H17O3P/c23-21-16-20(22(24)25-21)26(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2

InChI Key

CXYNGWAHZKOMJQ-UHFFFAOYSA-N

Smiles

O=C1CC(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)O1

InChI

InChI=1S/C22H17O3P/c23-21-16-20(22(24)25-21)26(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2

Property Name	Value
Molecular Formula	C22H17O3P1
Molecular Weight	360.09
AlogP	2.63
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	3.0
Polar Surface Area	43.37
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C22H17O3P1

Molecular Weight

360.09

AlogP

2.63

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

3.0

Polar Surface Area

43.37

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	906-65-0
NORMAN SUSDAT
FDA SRS	85UZS3DN56
PubChem	70183
ChemSpider	63369.0

Resources

Reference

CAS NUMBER

906-65-0

NORMAN SUSDAT

FDA SRS

85UZS3DN56

PubChem

70183

ChemSpider

63369.0

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

2-(TRIPHENYLPHOSPHORANYLIDENE)SUCCINIC ANHYDRIDE

Structure

Physicochemical Descriptors

Cross References