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> Main
CHEBI:52015 - carindacillin
Main
ChEBI Ontology
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ChEBI Name
carindacillin
ChEBI ID
CHEBI:52015
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula
C26H26N2O6S
Net Charge
0
Average Mass
494.55900
Monoisotopic Mass
494.15116
InChI
InChI=1S/C26H26N2O6S/c1-
26(2)
20(24(31)
32)
28-
22(30)
19(23(28)
35-
26)
27-
21(29)
18(15-
7-
4-
3-
5-
8-
15)
25(33)
34-
17-
12-
11-
14-
9-
6-
10-
16(14)
13-
17/h3-
5,7-
8,11-
13,18-
20,23H,6,9-
10H2,1-
2H3,(H,27,29)
(H,31,32)
/t18?,19-
,20+,23-
/m1/s1
InChIKey
JIRBAUWICKGBFE-MNRDOXJOSA-N
SMILES
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C(=O)Oc1ccc2CCCc2c1)c1ccccc1)C(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
allergen
A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
(via
penicillin
)
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via
heterocyclic antibiotic
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
carindacillin (
CHEBI:52015
)
is a
penicillin (
CHEBI:17334
)
carindacillin (
CHEBI:52015
)
is conjugate acid of
carindacillin(1−) (
CHEBI:52016
)
Incoming
carindacillin(1−) (
CHEBI:52016
)
is conjugate base of
carindacillin (
CHEBI:52015
)
IUPAC Name
6β-
[3-
(2,3-
dihydro-
1
H
-
inden-
5-
yloxy)-
3-
oxo-
2-
phenylpropanamido]-
2,2-
dimethylpenam-
3α-
carboxylic acid
INNs
Sources
carindacilina
ChemIDplus
carindacillin
KEGG DRUG
carindacilline
ChemIDplus
carindacillinum
ChemIDplus
Synonyms
Sources
(2
S
,5
R
,6
R
)-
6-
{[3-
(2,3-
dihydro-
1
H
-
inden-
5-
yloxy)-
3-
oxo-
2-
phenylpropanoyl]amino}-
3,3-
dimethyl-
7-
oxo-
4-
thia-
1-
azabicyclo[3.2.0]heptane-
2-
carboxylic acid
IUPAC
6β-
{2-
[(2,3-
dihydro-
1
H
-
inden-
5-
yloxy)carbonyl]-
2-
phenylacetamido}-
2,2-
dimethylpenam-
3α-
carboxylic acid
IUPAC
carbenicillin indanyl
ChemIDplus
indanyl carbenicillin
ChemIDplus
Manual Xrefs
Databases
508
DrugCentral
D07621
KEGG DRUG
DE1959569
Patent
US3557090
Patent
US3574189
Patent
View more database links
Registry Numbers
Types
Sources
35531-88-5
CAS Registry Number
ChemIDplus
5406175
Beilstein Registry Number
Beilstein
Last Modified
22 February 2017