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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:31209 - ampicillin trihydrate
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ChEBI Ontology
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ChEBI Name
ampicillin trihydrate
ChEBI ID
CHEBI:31209
Stars
This entity has been manually annotated by the ChEBI Team.
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Formulae
C16H19N3O4S.3H2O
C16H25N3O7S
Net Charge
0
Average Mass
403.45172
Monoisotopic Mass
403.14132
InChI
InChI=1S/C16H19N3O4S.3H2O/c1-
16(2)
11(15(22)
23)
19-
13(21)
10(14(19)
24-
16)
18-
12(20)
9(17)
8-
6-
4-
3-
5-
7-
8;;;/h3-
7,9-
11,14H,17H2,1-
2H3,(H,18,20)
(H,22,23)
;3*1H2/t9-
,10-
,11+,14-
;;;/m1.../s1
InChIKey
RXDALBZNGVATNY-CWLIKTDRSA-N
SMILES
[H]O[H].[H]O[H].[H]O[H].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C(O)=O
ChEBI Ontology
Outgoing
ampicillin trihydrate (
CHEBI:31209
)
has part
ampicillin (
CHEBI:28971
)
ampicillin trihydrate (
CHEBI:31209
)
is a
hydrate (
CHEBI:35505
)
IUPAC Name
6β-[(2
R
)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3α-carboxylic acid trihydrate
Synonyms
Sources
(2
S
,5
R
,6
R
)-
6-
{[(2
R
)-
2-
amino-
2-
phenylacetyl]amino}-
3,3-
dimethyl-
7-
oxo-
4-
thia-
1-
azabicyclo[3.2.0]heptane-
2-
carboxylic acid trihydrate
IUPAC
aminobenzylpenicillin trihydrate
ChemIDplus
Brand Names
Sources
Binotal
DrugBank
Campicillin
DrugBank
Penbritin
ChemIDplus
Principen
ChemIDplus
Manual Xrefs
Databases
D01251
KEGG DRUG
DB00415
DrugBank
View more database links
Registry Numbers
Types
Sources
5399534
Beilstein Registry Number
Beilstein
7177-48-2
CAS Registry Number
ChemIDplus
Last Modified
02 December 2009