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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:34836 - methicillin sodium monohydrate
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ChEBI Ontology
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ChEBI Name
methicillin sodium monohydrate
ChEBI ID
CHEBI:34836
Stars
This entity has been manually annotated by the ChEBI Team.
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Formulae
C17H19N2O6S.Na.H2O
C17H21N2NaO7S
Net Charge
0
Average Mass
420.41300
Monoisotopic Mass
420.09672
InChI
InChI=1S/C17H20N2O6S.Na.H2O/c1-
17(2)
12(16(22)
23)
19-
14(21)
11(15(19)
26-
17)
18-
13(20)
10-
8(24-
3)
6-
5-
7-
9(10)
25-
4;;/h5-
7,11-
12,15H,1-
4H3,(H,18,20)
(H,22,23)
;;1H2/q;+1;/p-
1/t11-
,12+,15-
;;/m1../s1
InChIKey
NRZPASQBOYNGHR-HWROMZCQSA-M
SMILES
[Na+].[H]O[H].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(OC)cccc1OC)C([O-])=O
ChEBI Ontology
Outgoing
methicillin sodium monohydrate (
CHEBI:34836
)
has part
methicillin sodium (
CHEBI:52065
)
methicillin sodium monohydrate (
CHEBI:34836
)
is a
hydrate (
CHEBI:35505
)
IUPAC Name
sodium 6β-(2,6-dimethoxybenzamido)-2,2-dimethylpenam-3α-carboxylate—water (1/1)
Synonyms
Sources
sodium (2
S
,5
R
,6
R
)-
6-
[(2,6-
dimethoxybenzoyl)amino]-
3,3-
dimethyl-
7-
oxo-
4-
thia-
1-
azabicyclo[3.2.0]heptane-
2-
carboxylate hydrate
IUPAC
sodium 6β-(2,6-dimethoxybenzamido)penicillanate hydrate
ChEBI
Sodium methicillin monohydrate
KEGG COMPOUND
Manual Xrefs
Databases
C13973
KEGG COMPOUND
D02196
KEGG DRUG
View more database links
Registry Number
Type
Source
7246-14-2
CAS Registry Number
KEGG COMPOUND
Last Modified
05 March 2009