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> Main
CHEBI:560555 - cefditoren pivoxil
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ChEBI Ontology
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ChEBI Name
cefditoren pivoxil
ChEBI ID
CHEBI:560555
Definition
The pivaloyloxymethyl ester prodrug of cefditoren.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:606444, CHEBI:31367
Supplier Information
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Molfile
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Wikipedia
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Read full article at Wikipedia
Formula
C25H28N6O7S3
Net Charge
0
Average Mass
620.72100
Monoisotopic Mass
620.11816
InChI
InChI=1S/C25H28N6O7S3/c1-
12-
15(41-
10-
27-
12)
7-
6-
13-
8-
39-
21-
17(29-
19(32)
16(30-
36-
5)
14-
9-
40-
24(26)
28-
14)
20(33)
31(21)
18(13)
22(34)
37-
11-
38-
23(35)
25(2,3)
4/h6-
7,9-
10,17,21H,8,11H2,1-
5H3,(H2,26,28)
(H,29,32)
/b7-
6-
,30-
16-
/t17-
,21-
/m1/s1
InChIKey
AFZFFLVORLEPPO-UVYJNCLZSA-N
SMILES
[H][C@]12SCC(\C=C/c3scnc3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C(=O)OCOC(=O)C(C)(C)C
Roles Classification
Biological Role
(s):
antibacterial drug
A drug used to treat or prevent bacterial infections.
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via
heterocyclic antibiotic
)
Application
(s):
antibacterial drug
A drug used to treat or prevent bacterial infections.
prodrug
A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
cefditoren pivoxil (
CHEBI:560555
)
has functional parent
cefditoren (
CHEBI:59343
)
cefditoren pivoxil (
CHEBI:560555
)
has role
antibacterial drug (
CHEBI:36047
)
cefditoren pivoxil (
CHEBI:560555
)
has role
prodrug (
CHEBI:50266
)
cefditoren pivoxil (
CHEBI:560555
)
is a
1,3-thiazoles (
CHEBI:38418
)
cefditoren pivoxil (
CHEBI:560555
)
is a
cephams (
CHEBI:35995
)
cefditoren pivoxil (
CHEBI:560555
)
is a
oxime
O
-ether (
CHEBI:36816
)
cefditoren pivoxil (
CHEBI:560555
)
is a
pivaloyloxymethyl ester (
CHEBI:136685
)
IUPAC Names
[(2,2-
dimethylpropanoyl)oxy]methyl (6
R
,7
R
)-
7-
{[(2
Z
)-
2-
(2-
amino-
1,3-
thiazol-
4-
yl)-
2-
(methoxyimino)acetyl]amino}-
3-
[(
Z
)-
2-
(4-
methyl-
1,3-
thiazol-
5-
yl)ethenyl]-
8-
oxo-
5-
thia-
1-
azabicyclo[4.2.0]oct-
2-
ene-
2-
carboxylate
[(2,2-
dimethylpropanoyl)oxy]methyl 7β-
(2
Z
)-
2-
(2-
amino-
1,3-
thiazol-
4-
yl)-
2-
(methoxyimino)acetamido-
3-
[(
Z
)-
2-
(4-
methyl-
1,3-
thiazol-
5-
yl)ethenyl]-
3,4-
didehydrocepham-
4-
carboxylic acid
Synonyms
Sources
cefditoren pivaloyloxymethyl ester
ChemIDplus
Cefditoren pivoxil
KEGG COMPOUND
pivaloyloxymethyl (+)-
(6
R
,7
R
)-
7-
{[(2
Z
)-
2-
(2-
amino-
1,3-
thiazol-
4-
yl)-
2-
(methoxyimino)acetyl]amino}-
3-
[(
Z
)-
2-
(4-
methyl-
1,3-
thiazol-
5-
yl)ethenyl]-
8-
oxo-
5-
thia-
1-
azabicyclo[4.2.0]oct-
2-
ene-
2-
carboxylate
ChEBI
Manual Xrefs
Databases
534
DrugCentral
Cefditoren_Pivoxil
Wikipedia
D01628
KEGG DRUG
DB01066
DrugBank
View more database links
Registry Numbers
Types
Sources
117467-28-4
CAS Registry Number
ChemIDplus
117467-28-4
CAS Registry Number
KEGG DRUG
4902739
Beilstein Registry Number
Beilstein
Last Modified
31 March 2017