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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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Chlorothiazide sodium (USP)
Properties
Image
Occurences in reactions
MNX_ID
MNXM103786
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
7
H
5
ClN
3
NaO
4
S
2
charge
0
mass
316.93077
reference
keggD:D03471
InChIKey
CPIWHAFLBZQYLQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClN3O4S2.Na/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5;/h1-3H,(H2-,9,10,11,12,13);/q-1;+1
SMILES
NS(=O)(=O)c1cc2c(cc1Cl)N=C[N-]S2(=O)=O.[Na+]
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
kegg.drug:D03471
keggD:D03471
Chlorothiazide sodium (USP)
Diuril (TN)
keggD:M_D03471
secondary/obsolete/fantasy identifier