General
Preferred name
TRIMETHOBENZAMIDE HYDROCHLORIDE
Synonyms
Ro 2-9578 ()
Tribenzagan Hydrochloride ()
Trimethobenzamide (hydrochloride) ()
NSC-37882 ()
Trimethobenzamide HCl ()
Trimethobenzamide hydrochloride preservative free ()
Tigan ()
P&D ID
PD002102
CAS
554-92-7
138-56-7
Tags
natural product
drug
available
Drug Status
approved
Max Phase
Phase 4
Drug indication
Anti-Emetic
First approval
1974
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Trimethobenzamide hydrochloride is the hydrochloride salt form of trimethobenzamide, which is a benzamide derivative with antiemetic property. It is an orally available, antiemetic agent used in the therapy of nausea and vomiting and gastrointestinal, viral and other illnesses. It is generally considered the most potent antiemetic that does not have effects on the serotonergic, dopaminergic, or histaminergic systems. It inhibits the chemoreceptor trigger zone (CTZ), an area in the medulla oblongata through which emetic impulses are conveyed to the vomiting center, thereby suppressing nausea and vomiting. It is also used in the treatment of Parkinson's disease. It has been withdrawn from the market. (BOC Sciences Bioactive Compounds)
Compound Sets
10
Cayman Chemical Bioactives
ChEMBL Approved Drugs
ChEMBL Drugs
MedChem Express Bioactive Compound Library
NCATS Inxight Approved Drugs
Prestwick Chemical Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
External IDs
16
Properties
(calculated by RDKit )
Molecular Weight
424.18
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
1
Rotatable Bonds
10
Ring Count
2
Aromatic Ring Count
2
cLogP
3.0
TPSA
69.26
Fraction CSP3
0.38
Chiral centers
0.0
Largest ring
6.0
QED
0.63
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
GPCR/G protein
Neuroscience
Anti-infection
Neuronal Signaling
Target
D2
Influenza Virus
MOA
Dopamine Receptor
Solubility
Soluble in DMSO (Slightly), Methanol (Slightly), Water (Slightly)
Source data