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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H19ClN2O11S
Molecular Weight 506.868
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FUROSEMIDE GLUCURONIDE

SMILES

NS(=O)(=O)C1=CC(C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=C(NCC3=CC=CO3)C=C1Cl

InChI

InChIKey=RNVHHPUYELVHRE-GLRLOKQVSA-N
InChI=1S/C18H19ClN2O11S/c19-9-5-10(21-6-7-2-1-3-30-7)8(4-11(9)33(20,28)29)17(27)32-18-14(24)12(22)13(23)15(31-18)16(25)26/h1-5,12-15,18,21-24H,6H2,(H,25,26)(H2,20,28,29)/t12-,13-,14+,15-,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H19ClN2O11S
Molecular Weight 506.868
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:17:48 UTC 2023
Edited
by admin
on Sat Dec 16 14:17:48 UTC 2023
Record UNII
B6C1SX3FIJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FUROSEMIDE GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-(5-(AMINOSULFONYL)-4-CHLORO-2-((2-FURANYLMETHYL)AMINO)BENZOATE)
Systematic Name English
Code System Code Type Description
PUBCHEM
21123459
Created by admin on Sat Dec 16 14:17:48 UTC 2023 , Edited by admin on Sat Dec 16 14:17:48 UTC 2023
PRIMARY
EPA CompTox
DTXSID401120112
Created by admin on Sat Dec 16 14:17:48 UTC 2023 , Edited by admin on Sat Dec 16 14:17:48 UTC 2023
PRIMARY
CAS
72967-59-0
Created by admin on Sat Dec 16 14:17:48 UTC 2023 , Edited by admin on Sat Dec 16 14:17:48 UTC 2023
PRIMARY
FDA UNII
B6C1SX3FIJ
Created by admin on Sat Dec 16 14:17:48 UTC 2023 , Edited by admin on Sat Dec 16 14:17:48 UTC 2023
PRIMARY
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