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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:51919 - nafcillin sodium monohydrate
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ChEBI Ontology
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ChEBI Name
nafcillin sodium monohydrate
ChEBI ID
CHEBI:51919
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C21H23N2NaO6S
Net Charge
0
Average Mass
454.47200
Monoisotopic Mass
454.11745
InChI
InChI=1S/C21H22N2O5S.Na.H2O/c1-
4-
28-
13-
10-
9-
11-
7-
5-
6-
8-
12(11)
14(13)
17(24)
22-
15-
18(25)
23-
16(20(26)
27)
21(2,3)
29-
19(15)
23;;/h5-
10,15-
16,19H,4H2,1-
3H3,(H,22,24)
(H,26,27)
;;1H2/q;+1;/p-
1/t15-
,16+,19-
;;/m1../s1
InChIKey
OCXSDHJRMYFTMA-KMFBOIRUSA-M
SMILES
[Na+].[H]O[H].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(OCC)ccc2ccccc12)C([O-])=O
ChEBI Ontology
Outgoing
nafcillin sodium monohydrate (
CHEBI:51919
)
has part
nafcillin sodium (
CHEBI:7448
)
nafcillin sodium monohydrate (
CHEBI:51919
)
is a
hydrate (
CHEBI:35505
)
nafcillin sodium monohydrate (
CHEBI:51919
)
is a
organic sodium salt (
CHEBI:38700
)
IUPAC Name
sodium 6β-[(2-ethoxy-1-naphthoyl)amino]-2,2-dimethylpenam-3α-carboxylate hydrate
Synonyms
Sources
monohydrate of sodium salt of 6-(2-ethoxy-1-naphthamido)penicillanic acid
Patent
nafcillin sodium hydrate
ChemIDplus
sodium (2
S
,5
R
,6
R
)-
6-
{[(2-
ethoxynaphthalen-
1-
yl)carbonyl]amino}-
3,3-
dimethyl-
7-
oxo-
4-
thia-
1-
azabicyclo[3.2.0]heptane-
2-
carboxylate hydrate
IUPAC
Wy 3277
ChemIDplus
Brand Names
Sources
Nafcil
ChemIDplus
Nallpen
ChemIDplus
Unipen
ChemIDplus
Manual Xref
Database
US3506645
Patent
View more database links
Registry Numbers
Types
Sources
11001487
Beilstein Registry Number
Beilstein
7177-50-6
CAS Registry Number
ChemIDplus
Last Modified
06 March 2012