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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:135244 - tertatolol
Main
ChEBI Ontology
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ChEBI Name
tertatolol
ChEBI ID
CHEBI:135244
Stars
This entity has been manually annotated by a third party.
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Formula
C16H25NO2S
Net Charge
0
Average Mass
295.442
Monoisotopic Mass
295.16060
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
InChIKey
HTWFXPCUFWKXOP-UHFFFAOYSA-N
SMILES
O(CC(CNC(C)(C)C)O)C1=C2C(=CC=C1)CCCS2
ChEBI Ontology
Outgoing
tertatolol (
CHEBI:135244
)
is a
thiochromane (
CHEBI:50747
)
Synonym
Source
dl-Tertatolol
DrugCentral
Manual Xrefs
Databases
2605
DrugCentral
HMDB0042026
HMDB
View more database links
Registry Number
Type
Source
83688-84-0
CAS Registry Number
DrugCentral
Last Modified
23 February 2017