EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	ZCX619U9A1
EPA CompTox	DTXSID8048155

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

ZCX619U9A1

EPA CompTox

DTXSID8048155


InChI Key	LIRCDOVJWUGTMW-ZWNOBZJWSA-N
Smiles	OC(C(COC(=O)CCC(=O)[O-])NC(=O)C(Cl)Cl)c1ccc(cc1)[N+](=O)[O-]
InChI	InChI=1S/C15H16Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)/t10-,13-/m1/s1

InChI Key

LIRCDOVJWUGTMW-ZWNOBZJWSA-N

Smiles

OC(C(COC(=O)CCC(=O)[O-])NC(=O)C(Cl)Cl)c1ccc(cc1)[N+](=O)[O-]

InChI

InChI=1S/C15H16Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)/t10-,13-/m1/s1

Property Name	Value
Molecular Formula	C15H16Cl2N2O8
Molecular Weight	422.03
AlogP	2.17
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	10.0
Polar Surface Area	159.56
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C15H16Cl2N2O8

Molecular Weight

422.03

AlogP

2.17

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

10.0

Polar Surface Area

159.56

Heavy Atoms

27.0

Resources	Reference
CAS NUMBER	3544-94-3
NORMAN SUSDAT
FDA SRS	ZCX619U9A1
PubChem	656580
ChemSpider	2608.0

Resources

Reference

CAS NUMBER

3544-94-3

NORMAN SUSDAT

FDA SRS

ZCX619U9A1

PubChem

656580

ChemSpider

2608.0

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

CHLORAMPHENICOL SUCCINATE

Structure

Physicochemical Descriptors

Cross References