Clobutinol

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Systematic / IUPAC Name: 1-(4-chlorophenyl)-4-(dimethylamino)-2,3-dimethylbutan-2-ol

ID: Reference1990

Other Names: 4-Chloro-α(2-(dimethylamino)-1-methylethyl)α-methylbenzeneethanol;
1-(4-Chlorophenyl)-2,3-dimethyl-4-dimethylamino-2-butanol;
Benzeneethanol, 4-chloro-α-(2-(dimethylamino)-1-methyl)-α-methyl-;
p-Chloro-α-(2-(dimethylamino)-1-methylethyl)-α-methylphenethyl alcohol;
Phenethyl alcohol, p-chloro-α-(2-(dimethylamino)-1-methylethyl)-α-methyl-

Formula: C14H22ClNO

Class: Therapeutics/Prescription Drugs

Spectral Data

Clobutinol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/13/2015 10:47:57 AM
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Identificators

InChI InChI=1S/C14H22ClNO/c1-11(10-16(3)4)14(2,17)9-12-5-7-13(15)8-6-12/h5-8,11,17H,9-10H2,1-4H3
InChI Key KVHHQGIIZCJATJ-UHFFFAOYSA-N
Canonical SMILES CC(CN(C)C)C(C)(CC1=CC=C(C=C1)Cl)O
CAS 14860492
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Other Names 4-Chloro-α(2-(dimethylamino)-1-methylethyl)α-methylbenzeneethanol;
1-(4-Chlorophenyl)-2,3-dimethyl-4-dimethylamino-2-butanol;
Benzeneethanol, 4-chloro-α-(2-(dimethylamino)-1-methyl)-α-methyl-;
p-Chloro-α-(2-(dimethylamino)-1-methylethyl)-α-methylphenethyl alcohol;
Phenethyl alcohol, p-chloro-α-(2-(dimethylamino)-1-methylethyl)-α-methyl-

In Other Databases

Wikipedia Clobutinol
KEGG D07716
PubChem 26937
ChemSpider 25085
ChEMBL CHEMBL1474889
ChemIDPlus 014860492