CHLORDIAZEPOXIDE HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1960)
Entry Type: Small molecule
Molecule Category: Salt
UNII: MFM6K1XWDK
Parent Compound: CHLORDIAZEPOXIDE

Structure
InChI Key DMLFJMQTNDSRFU-UHFFFAOYSA-N
Smile CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1.Cl
InChI
InChI=1S/C16H14ClN3O.ClH/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15;/h2-9H,10H2,1H3,(H,18,19);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H15Cl2N3O
Molecular Weight 336.22
AlogP 2.95
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 50.46
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
POSITIVE ALLOSTERIC MODULATOR GABA-A receptor; anion channel positive allosteric modulator PubMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - 300-5012 -

Related Entries

Scaffolds

Parent
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Psychiatric disorders
27.82
General disorders and administration site conditions
16.82
Nervous system disorders
16.08
Injury, poisoning and procedural complications
9.43
Vascular disorders
5.55
Cardiac disorders
5.36
Gastrointestinal disorders
4.53
Metabolism and nutrition disorders
3.7
Respiratory, thoracic and mediastinal disorders
2.4
Musculoskeletal and connective tissue disorders
2.03

Cross References

Resources Reference
ChEBI 3612
ChEMBL CHEMBL1200703
EPA CompTox DTXSID40880060
FDA SRS MFM6K1XWDK
KEGG D00267
SureChEMBL SCHEMBL8935
ZINC ZINC19632917
CONTENTS