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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:34614 - cefamandole sodium
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ChEBI Name
cefamandole sodium
ChEBI ID
CHEBI:34614
Definition
An organic sodium salt that is the sodium salt of cefamandole.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C18H17N6NaO5S2
Net Charge
0
Average Mass
484.48500
Monoisotopic Mass
484.05995
InChI
InChI=1S/C18H18N6O5S2.Na/c1-
23-
18(20-
21-
22-
23)
31-
8-
10-
7-
30-
16-
11(15(27)
24(16)
12(10)
17(28)
29)
19-
14(26)
13(25)
9-
5-
3-
2-
4-
6-
9;/h2-
6,11,13,16,25H,7-
8H2,1H3,(H,19,26)
(H,28,29)
;/q;+1/p-
1/t11-
,13-
,16-
;/m1./s1
InChIKey
OJMNTWPPFNMOCJ-CFOLLTDRSA-M
SMILES
[Na+].[H][C@]12SCC(CSc3nnnn3C)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)c1ccccc1)C([O-])=O
Roles Classification
Biological Role
(s):
antibacterial drug
A drug used to treat or prevent bacterial infections.
Application
(s):
antibacterial drug
A drug used to treat or prevent bacterial infections.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
cefamandole sodium (
CHEBI:34614
)
has part
cefamandole(1−) (
CHEBI:53652
)
cefamandole sodium (
CHEBI:34614
)
has role
antibacterial drug (
CHEBI:36047
)
cefamandole sodium (
CHEBI:34614
)
is a
organic sodium salt (
CHEBI:38700
)
IUPAC Name
sodium 7β-
[(2
R
)-
2-
hydroxy-
2-
phenylacetamido]-
3-
{[(1-
methyl-
1
H
-
tetrazol-
5-
yl)sulfanyl]methyl}ceph-
3-
em-
4-
carboxylate
Synonyms
Sources
cefamandole sodium salt
ChEBI
cephamandole sodium
ChEBI
cephamandole sodium salt
ChEBI
monosodium (6
R
,7
R
)-
7-
(
R
)-
mandelamido-
3-
(((1-
methyl-
1-
H
-
tetrazol-
5-
yl)thio)methyl)-
8-
oxo-
5-
thia-
1-
azabicyclo(4.2.0)oct-
2-
ene-
2-
carboxylate
ChemIDplus
sodium (6
R
,7
R
)-
7-
{[(2
R
)-
2-
hydroxy-
2-
phenylacetyl]amino}-
3-
{[(1-
methyl-
1
H
-
tetrazol-
5-
yl)sulfanyl]methyl}-
8-
oxo-
5-
thia-
1-
azabicyclo[4.2.0]oct-
2-
ene-
2-
carboxylate
IUPAC
Brand Name
Source
Kefdole
KEGG DRUG
Manual Xrefs
Databases
C13968
KEGG COMPOUND
D02191
KEGG DRUG
View more database links
Registry Numbers
Types
Sources
30034-03-8
CAS Registry Number
KEGG COMPOUND
30034-03-8
CAS Registry Number
ChemIDplus
4901274
Reaxys Registry Number
Reaxys
Last Modified
01 May 2013