Details
Stereochemistry | ACHIRAL |
Molecular Formula | C17H20N2O5S |
Molecular Weight | 364.416 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CCCCNC1=CC(=CC(=C1OC2=CC=CC=C2)S(N)(=O)=O)C(O)=O
InChI
InChIKey=MAEIEVLCKWDQJH-UHFFFAOYSA-N
InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23)
Molecular Formula | C17H20N2O5S |
Molecular Weight | 364.416 |
Charge | 0 |
Count |
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Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:23:24 UTC 2023
by
admin
on
Fri Dec 15 15:23:24 UTC 2023
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Record UNII |
0Y2S3XUQ5H
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NDF-RT |
N0000175590
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NDF-RT |
N0000175366
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WHO-VATC |
QC03EB02
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NCI_THESAURUS |
C49184
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LIVERTOX |
126
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WHO-ATC |
C03CB02
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WHO-VATC |
QC03CA02
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WHO-ATC |
C03CA02
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WHO-VATC |
QC03CB02
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WHO-ATC |
C03EB02
Created by
admin on Fri Dec 15 15:23:24 UTC 2023 , Edited by admin on Fri Dec 15 15:23:24 UTC 2023
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Code System | Code | Type | Description | ||
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m2759
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PRIMARY | Merck Index | ||
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249-004-6
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DTXSID5022699
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D002034
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BUMETANIDE
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SUB05971MIG
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1808
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4837
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Bumetanide
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DB00887
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C28875
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1078303
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CHEMBL1072
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0Y2S3XUQ5H
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0Y2S3XUQ5H
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100000088443
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Related Record | Type | Details | ||
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TRANSPORTER -> INHIBITOR | |||
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DERIVATIVE -> PARENT |
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TRANSPORTER -> INHIBITOR |
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TRANSPORTER -> INHIBITOR | |||
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SALT/SOLVATE -> PARENT |
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TRANSPORTER -> INHIBITOR | |||
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TRANSPORTER -> SUBSTRATE | |||
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TARGET -> INHIBITOR |
POTENCY
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BINDER->LIGAND |
BINDING
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Related Record | Type | Details | ||
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (TLC)
USP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (TLC)
USP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (TLC)
USP
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
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Biological Half-life | PHARMACOKINETIC |
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