Tertatolol

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Systematic / IUPAC Name: 1-(3,4-Dihydro-2H-thiochromen-8-yloxy)-3-[(2-methyl-2-propanyl)amino]-2-propanol

ID: Reference6959

Other Names: tert-Butyl[3-(3,4-dihydro-2H-1-benzothiopyran-8-yloxy)-2-hydroxypropyl]amine;
1-(tert-Butylamino)-3-(3,4-dihydro-2H-thiochromen-8-yloxy)propan-2-ol;
1-(tert-Butylamino)-3-[(3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy]propan-2-ol ;
1-(tert-Butylamino)-3-thiochroman-8-yloxypropan-2-ol;
1-[(3,4-Dihydro-2H-1-benzothiopyran-8-yl)oxy]-3-[(1,1-dimethylethyl)amino]-2-propanol ; more

Formula: C16H25NO2S

Spectral Data

Tertatolol 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 Orbitrap
No. of Spectral Trees 1
No. of Spectra 314
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/26/2017 8:19:05 AM
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Identificators

InChI InChI=1S/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3
InChI Key HTWFXPCUFWKXOP-UHFFFAOYSA-N
Canonical SMILES CC(C)(C)NCC(COC1=CC=CC2=C1SCCC2)O
CAS
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Other Names tert-Butyl[3-(3,4-dihydro-2H-1-benzothiopyran-8-yloxy)-2-hydroxypropyl]amine;
1-(tert-Butylamino)-3-(3,4-dihydro-2H-thiochromen-8-yloxy)propan-2-ol;
1-(tert-Butylamino)-3-[(3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy]propan-2-ol ;
1-(tert-Butylamino)-3-thiochroman-8-yloxypropan-2-ol;
1-[(3,4-Dihydro-2H-1-benzothiopyran-8-yl)oxy]-3-[(1,1-dimethylethyl)amino]-2-propanol ;
1-tert-Butylamino-3-(thiochroman-8-yloxy)-propan-2-ol;
2-Propanol, 1-[(3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy]-3-[(1,1-dimethylethyl)amino]-

In Other Databases

KEGG D07182
ChEMBL CHEMBL434200
Wikipedia Tertatolol
ChemSpider 33875
PubChem 36920
ChemIDPlus 034784640; 083688840
HMDb HMDB42026