EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	933N61G4SL
EPA CompTox	DTXSID70897505

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

933N61G4SL

EPA CompTox

DTXSID70897505


InChI Key	CDAZYPQZWWYWDX-UHFFFAOYSA-N
Smiles	ON1CC(=NCC2CC2)N=C3C=CC(=CC3=C1c4ccccc4)Cl
InChI	InChI=1S/C19H18ClN3O/c20-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)23(24)12-18(22-17)21-11-13-6-7-13/h1-5,8-10,13,24H,6-7,11-12H2

InChI Key

CDAZYPQZWWYWDX-UHFFFAOYSA-N

Smiles

ON1CC(=NCC2CC2)N=C3C=CC(=CC3=C1c4ccccc4)Cl

InChI

InChI=1S/C19H18ClN3O/c20-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)23(24)12-18(22-17)21-11-13-6-7-13/h1-5,8-10,13,24H,6-7,11-12H2

Property Name	Value
Molecular Formula	C19H18Cl1N3O1
Molecular Weight	339.11
AlogP	2.63
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	48.19
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C19H18Cl1N3O1

Molecular Weight

339.11

AlogP

2.63

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

48.19

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	15687-07-7
NORMAN SUSDAT
FDA SRS	933N61G4SL

Resources

Reference

CAS NUMBER

15687-07-7

NORMAN SUSDAT

FDA SRS

933N61G4SL

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

CYPRAZEPAM

Structure

Physicochemical Descriptors

Cross References