EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	1V2WI2NA1C
EPA CompTox	DTXSID5023401

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

1V2WI2NA1C

EPA CompTox

DTXSID5023401


InChI Key	VCCZBYPHZRWKFY-XIKOKIGWSA-N
Smiles	C[C@@H]1CN2CC(=O)Nc3c(cc(Cl)cc3)[C@@]2(O1)c1ccccc1
InChI	InChI=1S/C18H17ClN2O2/c1-12-10-21-11-17(22)20-16-8-7-14(19)9-15(16)18(21,23-12)13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,20,22)/t12-,18+/m1/s1

InChI Key

VCCZBYPHZRWKFY-XIKOKIGWSA-N

Smiles

C[C@@H]1CN2CC(=O)Nc3c(cc(Cl)cc3)[C@@]2(O1)c1ccccc1

InChI

InChI=1S/C18H17ClN2O2/c1-12-10-21-11-17(22)20-16-8-7-14(19)9-15(16)18(21,23-12)13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,20,22)/t12-,18+/m1/s1

Property Name	Value
Molecular Formula	C18H17Cl1N2O2
Molecular Weight	328.1
AlogP	3.86
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	45.06
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C18H17Cl1N2O2

Molecular Weight

328.1

AlogP

3.86

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

45.06

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	24143-17-7
NORMAN SUSDAT
FDA SRS	1V2WI2NA1C
PubChem	62779
ChemSpider	4456.0

Resources

Reference

CAS NUMBER

24143-17-7

NORMAN SUSDAT

FDA SRS

1V2WI2NA1C

PubChem

62779

ChemSpider

4456.0

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

OXAZOLAM

Structure

Physicochemical Descriptors

Cross References