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Mebeverine Alcohol

CAT: 0572-TRC-M202525-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M202525-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14367-47-6
Synonyms
1-Butanol, 4-[ethyl[2-(4-methoxyphenyl)-1-methylethyl]amino]-; 1-Butanol, 4-[ethyl(p-methoxy-α-methylphenethyl)amino]- (6CI,7CI,8CI); 4-[Ethyl[2-(p-methoxy-α-phenyl)-1-methylethyl]amino]-1-butanol; 4-[Ethyl[2-(4-methoxyphenyl)-1-methylethyl]amino]-1-butanol; 4-[Ethyl[(2RS)-1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-ol; Mebeverine Impurity C
Hazard Statement
Harmful if swallowed.
Purity
>95% (HPLC)
Smiles
CCN(CCCCO)C(C)Cc1ccc(OC)cc1
Molecular Formula
C16 H27 N O2
Molecular Weight
265.39
InChI
InChI=1S/C16H27NO2/c1-4-17(11-5-6-12-18)14(2)13-15-7-9-16(19-3)10-8-15/h7-10,14,18H,4-6,11-13H2,1-3H3
Additionnal Information
IUPAC name: 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-ol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-(Ethyl(2-(4-methoxyphenyl)-1-methylethyl)amino)-1-butanol

structure given in first source; a metabolite of mebeverine

CAS Number14367-47-6
PubChem CID26649
IUPAC Name4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butan-1-ol
Molecular FormulaC16H27NO2
Molecular Weight265.39
XLogP3
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count19
Formal Charge0
Complexity215
SMILES
CCN(CCCCO)C(C)CC1=CC=C(C=C1)OC
InChI
InChI=1S/C16H27NO2/c1-4-17(11-5-6-12-18)14(2)13-15-7-9-16(19-3)10-8-15/h7-10,14,18H,4-6,11-13H2,1-3H3
InChIKey
ZGZAPRVKIAFOPL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Ethyl(2-(4-methoxyphenyl)-1-methylethyl)amino)-1-butanol
CAS: 14367-47-6
CID: 26649
Formula: C16H27NO2
MW: 265.39
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight265.39
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass265.204179104
Monoisotopic Mass265.204179104
Topological Polar Surface Area32.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity215
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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