EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	A72YB30612
EPA CompTox	DTXSID80152298

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

A72YB30612

EPA CompTox

DTXSID80152298


InChI Key	UZDRZEOOIXNUTE-UHFFFAOYSA-N
Smiles	CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)OC)C1=O
InChI	InChI=1S/C18H23N3O6S/c1-4-15-12(2)11-21(16(15)22)17(23)19-10-9-13-5-7-14(8-6-13)28(25,26)20-18(24)27-3/h5-8H,4,9-11H2,1-3H3,(H,19,23)(H,20,24)

InChI Key

UZDRZEOOIXNUTE-UHFFFAOYSA-N

Smiles

CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)OC)C1=O

InChI

InChI=1S/C18H23N3O6S/c1-4-15-12(2)11-21(16(15)22)17(23)19-10-9-13-5-7-14(8-6-13)28(25,26)20-18(24)27-3/h5-8H,4,9-11H2,1-3H3,(H,19,23)(H,20,24)

Property Name	Value
Molecular Formula	C18H23N3O6S1
Molecular Weight	409.13
AlogP	1.96
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	128.86
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C18H23N3O6S1

Molecular Weight

409.13

AlogP

1.96

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

128.86

Heavy Atoms

28.0

Resources	Reference
CAS NUMBER	119018-30-3
NORMAN SUSDAT
FDA SRS	A72YB30612
PubChem	16678662
ChemSpider	17611558.0

Resources

Reference

CAS NUMBER

119018-30-3

NORMAN SUSDAT

FDA SRS

A72YB30612

PubChem

16678662

ChemSpider

17611558.0

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, 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

GLIMEPIRIDE URETHANE

Structure

Physicochemical Descriptors

Cross References