EcoDrugPlus


Synonyms	Atelor Diamthazole dihydrochloride Diamthazole hydrochloride Dimazole dihydrochloride
Status
Molecule Category	Salt-form
UNII	3LF09TBB5W
EPA CompTox	DTXSID40159627

Synonyms

Atelor

Diamthazole dihydrochloride

Diamthazole hydrochloride

Dimazole dihydrochloride

Status

Molecule Category

Salt-form

UNII

3LF09TBB5W

EPA CompTox

DTXSID40159627


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	FZNXAQMQVKBXDR-UHFFFAOYSA-N
Smiles	CCN(CC)CCOc1ccc2nc(N(C)C)sc2c1.Cl.Cl
InChI	InChI=1S/C15H23N3OS.2ClH/c1-5-18(6-2)9-10-19-12-7-8-13-14(11-12)20-15(16-13)17(3)4;;/h7-8,11H,5-6,9-10H2,1-4H3;2*1H

InChI Key

FZNXAQMQVKBXDR-UHFFFAOYSA-N

Smiles

CCN(CC)CCOc1ccc2nc(N(C)C)sc2c1.Cl.Cl

InChI

InChI=1S/C15H23N3OS.2ClH/c1-5-18(6-2)9-10-19-12-7-8-13-14(11-12)20-15(16-13)17(3)4;;/h7-8,11H,5-6,9-10H2,1-4H3;2*1H

Property Name	Value
Molecular Formula	C15H25Cl2N3OS
Molecular Weight	366.36
AlogP	3.08
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	7.0
Polar Surface Area	28.6
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C15H25Cl2N3OS

Molecular Weight

366.36

AlogP

3.08

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

0.0

Number of Rotational Bond

7.0

Polar Surface Area

28.6

Molecular species

BASE

Aromatic Rings

2.0

Heavy Atoms

20.0

Resources	Reference
ChEBI	31474
ChEMBL	CHEMBL346235
FDA SRS	3LF09TBB5W
PubChem	8707
SureChEMBL	SCHEMBL155646

Resources

Reference

ChEBI

ChEMBL

FDA SRS

PubChem

SureChEMBL


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

DIAMTHAZOLE DIHYDROCHLORIDE

Structure

Physicochemical Descriptors

Cross References