Trimebutine 1g

CAT: 0628-A11718-1000Size: 1000 mgDry Ice: NoHazardous: No

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CAT#:0628-A11718-1000Size:1000 mg

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CAS Number

39133-31-8

Chemical Information

Trimebutine

3,4,5-trimethoxybenzoic acid [2-(dimethylamino)-2-phenylbutyl] ester is a trihydroxybenzoic acid.

CAS Number	39133-31-8
PubChem CID	5573
IUPAC Name	[2-(dimethylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate
Molecular Formula	C22H29NO5
Molecular Weight	387.5
XLogP	4
Topological Polar Surface Area	57.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Heavy Atom Count	28
Formal Charge	0
Complexity	466

SMILES

CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C

InChI

InChI=1S/C22H29NO5/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5/h8-14H,7,15H2,1-6H3

InChIKey

LORDFXWUHHSAQU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 39133-31-8

CID: 5573

Formula: C22H29NO5

MW: 387.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	387.5
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Exact Mass	387.20457303
Monoisotopic Mass	387.20457303
Topological Polar Surface Area	57.2 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	466
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
A18115-1000	Trimebutine maleate 1g
A11718-500	Trimebutine 500mg
A18115-500	Trimebutine maleate 500mg
A18115-5000	Trimebutine maleate 5g
A11718-10mM-D	Trimebutine 10mM * 1mL in DMSO
A18115-10mM-D	Trimebutine maleate 10mM * 1mL in DMSO
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