Mebeverine Acid

CAT: 0024-sc-207844Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-207844Size:10 mg

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CAS Number

475203-77-1

Chemical Information

4-(Ethyl(1-(4-methoxyphenyl)propan-2-yl)amino)butanoic acid

CAS Number	475203-77-1
PubChem CID	20556914
IUPAC Name	4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoic acid
Molecular Formula	C16H25NO3
Molecular Weight	279.37
XLogP	0.6
Topological Polar Surface Area	49.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Heavy Atom Count	20
Formal Charge	0
Complexity	275

SMILES

CCN(CCCC(=O)O)C(C)CC1=CC=C(C=C1)OC

InChI

InChI=1S/C16H25NO3/c1-4-17(11-5-6-16(18)19)13(2)12-14-7-9-15(20-3)10-8-14/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,19)

InChIKey

UZUWRVLVHOYTNN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 475203-77-1

CID: 20556914

Formula: C16H25NO3

MW: 279.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	279.37
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	279.18344366
Monoisotopic Mass	279.18344366
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	275
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
sc-218675	Mebeverine Alcohol
sc-488487	Mebeverine Alcohol-d5
sc-491642	Mebeverine-d6 Hydrochloride
sc-500545	O-Desmethyl Mebeverine Alcohol
sc-207666	Ethylenediaminediacetic Acid Dipropionic Acid
sc-278835	Chenodeoxycholic acid, free acid
sc-278835A	Chenodeoxycholic acid, free acid
sc-489909	Fluvoxamine Acid Trifluoroacetic Acid Salt
sc-258296	Trifluoroacetic acid, anhydride with trifluoromethanesulfonic acid
sc-202686	L-Ascorbic acid, free acid

Catalog	Name
CS-O-10323	Mebeverine Acid
HY-12769S-01	Mebeverine acid-d5
MBS5801612	Mebeverine acid hydrochloride
CS-EO-02959	Mebeverine Acid D5
HY-12769S2	Mebeverine acid-d3
HY-12769R	Mebeverine acid (Standard)
TRC-M555600-50MG	Mebeverine Acid Glucuronide
AR-M01131-01	Desmethyl Mebeverine Acid
AR-M01134-01	Mebeverine Acid HCl
164834	Mebeverine Acid Methyl Ester