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ChEBI
> Main
CHEBI:52067 - mezlocillin sodium
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ChEBI Ontology
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ChEBI Name
mezlocillin sodium
ChEBI ID
CHEBI:52067
Stars
This entity has been manually annotated by the ChEBI Team.
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Formulae
C21H24N5NaO8S2
C21H24N5O8S2.Na
Net Charge
0
Average Mass
561.56400
Monoisotopic Mass
561.09640
InChI
InChI=1S/C21H25N5O8S2.Na/c1-
21(2)
14(18(29)
30)
26-
16(28)
13(17(26)
35-
21)
22-
15(27)
12(11-
7-
5-
4-
6-
8-
11)
23-
19(31)
24-
9-
10-
25(20(24)
32)
36(3,33)
34;/h4-
8,12-
14,17H,9-
10H2,1-
3H3,(H,22,27)
(H,23,31)
(H,29,30)
;/q;+1/p-
1/t12-
,13-
,14+,17-
;/m1./s1
InChIKey
GTGQRSIMEUWHPA-ZBJAFUORSA-M
SMILES
[Na+]
.[H]
[C@]
12SC(C)
(C)
[C@@H]
(N1C(=O)
[C@H]
2NC(=O)
[C@H]
(NC(=O)
N1CCN(C1=O)
S(C)
(=O)
=O)
c1ccccc1)
C([O-
]
)
=O
ChEBI Ontology
Outgoing
mezlocillin sodium (
CHEBI:52067
)
has part
mezlocillin(1−) (
CHEBI:52066
)
mezlocillin sodium (
CHEBI:52067
)
is a
organic sodium salt (
CHEBI:38700
)
Incoming
mezlocillin sodium monohydrate (
CHEBI:52068
)
has part
mezlocillin sodium (
CHEBI:52067
)
IUPAC Name
sodium 6β-
{(2
R
)-
2-
[3-
(methanesulfonyl)-
2-
oxoimidazolidine-
1-
carboxamido]-
2-
phenylacetamido}-
2,2-
dimethylpenam-
3α-
carboxylate
Synonyms
Sources
sodium (2
S
,5
R
,6
R
)-
3,3-
dimethyl-
6-
{[(2
R
)-
2-
({[3-
(methylsulfonyl)-
2-
oxoimidazolidin-
1-
yl]carbonyl}amino)-
2-
phenylacetyl]amino}-
7-
oxo-
4-
thia-
1-
azabicyclo[3.2.0]heptane-
2-
carboxylate
IUPAC
sodium 6β-
{(2
R
)-
2-
[3-
(methanesulfonyl)-
2-
oxoimidazolidine-
1-
carboxamido]-
2-
phenylacetamido}penicillanate
ChEBI
Manual Xref
Database
D05022
KEGG DRUG
View more database links
Registry Numbers
Types
Sources
59798-30-0
CAS Registry Number
KEGG DRUG
6051016
Beilstein Registry Number
Beilstein
Last Modified
05 March 2009