EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	8G02RSW5CM
EPA CompTox	DTXSID70181517

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

8G02RSW5CM

EPA CompTox

DTXSID70181517


InChI Key	AJRNYCDWNITGHF-UHFFFAOYSA-N
Smiles	COc1cc2c(cc1)n(C(=O)c1ccc(Cl)cc1)c(C)c2CC(=O)NO
InChI	InChI=1S/C19H17ClN2O4/c1-11-15(10-18(23)21-25)16-9-14(26-2)7-8-17(16)22(11)19(24)12-3-5-13(20)6-4-12/h3-9,25H,10H2,1-2H3,(H,21,23)

InChI Key

AJRNYCDWNITGHF-UHFFFAOYSA-N

Smiles

COc1cc2c(cc1)n(C(=O)c1ccc(Cl)cc1)c(C)c2CC(=O)NO

InChI

InChI=1S/C19H17ClN2O4/c1-11-15(10-18(23)21-25)16-9-14(26-2)7-8-17(16)22(11)19(24)12-3-5-13(20)6-4-12/h3-9,25H,10H2,1-2H3,(H,21,23)

Property Name	Value
Molecular Formula	C19H17Cl1N2O4
Molecular Weight	372.09
AlogP	4.19
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	84.05
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C19H17Cl1N2O4

Molecular Weight

372.09

AlogP

4.19

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

84.05

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	27035-30-9
NORMAN SUSDAT
FDA SRS	8G02RSW5CM
PubChem	33675
ChemSpider	31057.0

Resources

Reference

CAS NUMBER

27035-30-9

NORMAN SUSDAT

FDA SRS

8G02RSW5CM

PubChem

33675

ChemSpider

31057.0

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

OXAMETACIN

Structure

Physicochemical Descriptors

Cross References