EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	JYB1H8V67Q
EPA CompTox	DTXSID00945407

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

JYB1H8V67Q

EPA CompTox

DTXSID00945407


InChI Key	BDJZWSLXDLQPNZ-FOMWZSOGSA-N
Smiles	Cl.Cl.O=C(OCC)C(N)CSSCC(N)C(=O)OCC
InChI	InChI=1/C10H20N2O4S2.2ClH/c1-3-15-9(13)7(11)5-17-18-6-8(12)10(14)16-4-2;;/h7-8H,3-6,11-12H2,1-2H3;2*1H

InChI Key

BDJZWSLXDLQPNZ-FOMWZSOGSA-N

Smiles

Cl.Cl.O=C(OCC)C(N)CSSCC(N)C(=O)OCC

InChI

InChI=1/C10H20N2O4S2.2ClH/c1-3-15-9(13)7(11)5-17-18-6-8(12)10(14)16-4-2;;/h7-8H,3-6,11-12H2,1-2H3;2*1H

Property Name	Value
Molecular Formula	C10H20N2O4S2
Molecular Weight	368.04
AlogP	0.99
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	9.0
Polar Surface Area	104.64
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C10H20N2O4S2

Molecular Weight

368.04

AlogP

0.99

Hydrogen Bond Acceptor

8.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

9.0

Polar Surface Area

104.64

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	22735-07-5
NORMAN SUSDAT
FDA SRS	JYB1H8V67Q
PubChem	11426

Resources

Reference

CAS NUMBER

22735-07-5

NORMAN SUSDAT

FDA SRS

JYB1H8V67Q

PubChem

11426

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

DIETHYL L-CYSTINATE DIHYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References