EcoDrugPlus


Synonyms	Diazoxide choline
Status
Molecule Category	Salt-form
UNII	2U8NRZ7P8L
Parent Compound:	DIAZOXIDE

Synonyms

Diazoxide choline

Status

Molecule Category

Salt-form

UNII

2U8NRZ7P8L

Parent Compound:

DIAZOXIDE


InChI Key	YLLWQNAEYILHLV-UHFFFAOYSA-N
Smiles	CC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1.C[N+](C)(C)CCO
InChI	InChI=1S/C8H6ClN2O2S.C5H14NO/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5;1-6(2,3)4-5-7/h2-4H,1H3;7H,4-5H2,1-3H3/q-1;+1

InChI Key

YLLWQNAEYILHLV-UHFFFAOYSA-N

Smiles

CC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1.C[N+](C)(C)CCO

InChI

InChI=1S/C8H6ClN2O2S.C5H14NO/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5;1-6(2,3)4-5-7/h2-4H,1H3;7H,4-5H2,1-3H3/q-1;+1

Property Name	Value
Molecular Formula	C13H20ClN3O3S
Molecular Weight	333.84
AlogP	1.87
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Polar Surface Area	58.53
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C13H20ClN3O3S

Molecular Weight

333.84

AlogP

1.87

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Polar Surface Area

58.53

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

14.0

Resources	Reference
ChEMBL	CHEMBL4297276
FDA SRS	2U8NRZ7P8L
PubChem	25014811

Resources

Reference

ChEMBL

CHEMBL4297276

FDA SRS

2U8NRZ7P8L

PubChem

25014811

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...

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Last update: Monday, 3 November 2025

DIAZOXIDE CHOLINE

Structure

Physicochemical Descriptors

Cross References