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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:35016 - Tiapamil
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ChEBI Ontology
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ChEBI Name
Tiapamil
ChEBI ID
CHEBI:35016
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C26H37NO8S2
Net Charge
0
Average Mass
555.707
Monoisotopic Mass
555.19606
InChI
InChI=1S/C26H37NO8S2/c1-
27(15-
12-
20-
8-
10-
22(32-
2)
24(18-
20)
34-
4)
14-
6-
13-
26(36(28,29)
16-
7-
17-
37(26,30)
31)
21-
9-
11-
23(33-
3)
25(19-
21)
35-
5/h8-
11,18-
19H,6-
7,12-
17H2,1-
5H3
InChIKey
ZROUQTNYPCANTN-UHFFFAOYSA-N
SMILES
COc1ccc(CCN(C)CCCC2(c3ccc(OC)c(OC)c3)S(=O)(=O)CCCS2(=O)=O)cc1OC
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Tiapamil (
CHEBI:35016
)
is a
benzenes (
CHEBI:22712
)
Tiapamil (
CHEBI:35016
)
is a
organic amino compound (
CHEBI:50047
)
Synonym
Source
Tiapamil
KEGG COMPOUND
Manual Xref
Database
C13765
KEGG COMPOUND
View more database links
Registry Number
Type
Source
57010-31-8
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014