lormetazepam   Click here for help

GtoPdb Ligand ID: 7553

Synonyms: chlorotemazepam | Dormagen® | methyllorazepam | WY-4082
Approved drug
lormetazepam is an approved drug
Compound class: Synthetic organic
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View more information in the IUPHAR Pharmacology Education Project: lormetazepam

2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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Click here for structure editor
Physico-chemical Properties
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Physico-chemical Properties

Calculated molecular properties are available for small molecules and natural products (not peptides). Properties were generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/). All properties were selected to enable the prediction of the Lipinski Rule-of-Five profile or ‘druglikeness’ for each ligand. For more info on each category see the help pages.

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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 52.9
Molecular weight 334.03
XLogP 3.61
No. Lipinski's rules broken 0

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

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Canonical SMILES Clc1ccc2c(c1)C(=NC(C(=O)N2C)O)c1ccccc1Cl
Isomeric SMILES Clc1ccc2c(c1)C(=NC(C(=O)N2C)O)c1ccccc1Cl
InChI InChI=1S/C16H12Cl2N2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3
InChI Key FJIKWRGCXUCUIG-UHFFFAOYSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
Classification Click here for help
Compound class Synthetic organic
Ligand families/groups Benzodiazepine class drugs
Approved drug? Yes.
IUPAC Name Click here for help
7-chloro-5-(2-chlorophenyl)-3-hydroxy-1-methyl-3H-1,4-benzodiazepin-2-one
International Nonproprietary Names Click here for help
INN number INN
4339 lormetazepam
Synonyms Click here for help
chlorotemazepam | Dormagen® | methyllorazepam | WY-4082
Database Links Click here for help
ChEBI CHEBI:52993
ChEMBL Ligand CHEMBL22097
DrugCentral Ligand 1608
GtoPdb PubChem SID 223365889
PubChem CID 13314
Search Google for chemical match using the InChIKey FJIKWRGCXUCUIG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FJIKWRGCXUCUIG
Search PubMed clinical trials lormetazepam
Search PubMed titles lormetazepam
Search PubMed titles/abstracts lormetazepam
UniChem Compound Search for chemical match using the InChIKey FJIKWRGCXUCUIG-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey FJIKWRGCXUCUIG-UHFFFAOYSA-N
Wikipedia Lormetazepam