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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:4709 - doxazosin mesylate
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ChEBI Ontology
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ChEBI Name
doxazosin mesylate
ChEBI ID
CHEBI:4709
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C23H25N5O5.CH4SO3
Net Charge
0
Average Mass
547.58196
Monoisotopic Mass
547.17368
InChI
InChI=1S/C23H25N5O5.CH4O3S/c1-
30-
18-
11-
14-
15(12-
19(18)
31-
2)
25-
23(26-
21(14)
24)
28-
9-
7-
27(8-
10-
28)
22(29)
20-
13-
32-
16-
5-
3-
4-
6-
17(16)
33-
20;1-
5(2,3)
4/h3-
6,11-
12,20H,7-
10,13H2,1-
2H3,(H2,24,25,26)
;1H3,(H,2,3,4)
InChIKey
VJECBOKJABCYMF-UHFFFAOYSA-N
SMILES
[H+].CS([O-])(=O)=O.COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1
Roles Classification
Application
(s):
geroprotector
Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
doxazosin mesylate (
CHEBI:4709
)
has part
doxazosin (
CHEBI:4708
)
doxazosin mesylate (
CHEBI:4709
)
has role
geroprotector (
CHEBI:176497
)
doxazosin mesylate (
CHEBI:4709
)
is a
methanesulfonate salt (
CHEBI:38037
)
IUPAC Name
2-
[4-
(2,3-
dihydro-
1,4-
benzodioxin-
2-
ylcarbonyl)piperazin-
1-
yl]-
6,7-
dimethoxyquinazolin-
4-
amine methanesulfonate
Synonym
Source
1-
(4-
Amino-
6,7-
dimethoxy-
2-
quinazolinyl)-
4-
(1,4-
benzodioxan-
2-
ylcarbonyl)piperazine monomethanesulfonate
ChemIDplus
Manual Xrefs
Databases
56686
ChemSpider
D00608
KEGG DRUG
DBSALT001948
DrugBank
View more database links
Registry Number
Type
Source
77883-43-3
CAS Registry Number
ChemIDplus
Citation
Type
Source
24134630
PubMed citation
Europe PMC
Last Modified
26 October 2021