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Trimethobenzamide

CAT: 1596-AR-B01198-05Size: 150Dry Ice: NoHazardous: No
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CAS Number
138-56-7
Synonyms
N- (4- (2- (dimethylamino) ethoxy) benzyl) -3,4,5-trimethoxybenzamide; N-[[4-[2- (Dimethylamino) ethoxy]phenyl]methyl]-3,4,5-trimethoxybenzamide Monohydrochloride; N-[p-[2- (Dimethylamino) ethoxy]benzyl]-3,4,5-trimethoxybenzamide Hydrochloride ; N-[p-[2- (Dimethylamino) ethoxy]benzyl]-3,4,5-trimethoxybenzamide Monohydrochloride; 4- (2-Dimethylaminoethoxy) -N- (3,4,5-trimethoxybenzoyl) benzylamine Hydrochloride; Anaus; N-[p-[2- (Dimethylamino) ethoxy]benzyl]-3,4,5-trimethoxybenzamide Hydrochloride; Ro 2-9578; Tigan; Tigan Hydrochloride ; Xametina
Molecular Formula
C21H28N2O5
Molecular Weight
388.47
API Name
Benzamide

Chemical Information

Trimethobenzamide

Trimethobenzamide is the amide obtained by formal condensation of 3,4,5-trihydroxybenzoic acid with 4-[2-(N,N-dimethylamino)ethoxy]benzylamine. It is used to prevent nausea and vomitting in humans. It has a role as an antiemetic. It is a member of benzamides and a tertiary amino compound.

CAS Number138-56-7
PubChem CID5577
IUPAC NameN-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4,5-trimethoxybenzamide
Molecular FormulaC21H28N2O5
Molecular Weight388.5
XLogP2.3
Topological Polar Surface Area69.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count28
Formal Charge0
Complexity440
SMILES
CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C21H28N2O5/c1-23(2)10-11-28-17-8-6-15(7-9-17)14-22-21(24)16-12-18(25-3)20(27-5)19(13-16)26-4/h6-9,12-13H,10-11,14H2,1-5H3,(H,22,24)
InChIKey
FEZBIKUBAYAZIU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trimethobenzamide
CAS: 138-56-7
CID: 5577
Formula: C21H28N2O5
MW: 388.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.5
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass388.19982200
Monoisotopic Mass388.19982200
Topological Polar Surface Area69.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity440
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
AR-A01316-01N-carbamoyl-2,4,5-trimethoxybenzamide
AR-A01315-01N, N'-carbonylbis (2,4,5-trimethoxybenzamide)
AR-A01319-01N- (2- (diisopropylamino) ethyl) -2,4,5-trimethoxybenzamide

Alternative Products

CatalogName
HY-12751-01Trimethobenzamide
TRC-T795845-250MGTrimethobenzamide Hydrochloride
MBS5767774Trimethobenzamide D6
HY-12751A-01Trimethobenzamide (hydrochloride)
CS-O-02927Trimethobenzamide-d6
318952Trimethobenzamide HCl
CS-O-57330Trimethobenzamide Impurity H
A17648-200Trimethobenzamide hydrochloride 200mg
A17648-100Trimethobenzamide hydrochloride 100mg
CS-EO-01184Trimethobenzamide Impurity E

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