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Details

Stereochemistry MIXED
Molecular Formula C19H24O10
Molecular Weight 412.3886
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CARBOXYIBUPROFEN-GLUCURONIDE

SMILES

CC([H])(Cc1ccc(cc1)C([H])(C)C(=O)O[C@@]2([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O2)O)O)O)C(=O)O

InChI

InChIKey=FLVLKWAQHDRIPH-DGHDQTINSA-N
InChI=1S/C19H24O10/c1-8(16(23)24)7-10-3-5-11(6-4-10)9(2)18(27)29-19-14(22)12(20)13(21)15(28-19)17(25)26/h3-6,8-9,12-15,19-22H,7H2,1-2H3,(H,23,24)(H,25,26)/t8?,9?,12-,13-,14+,15-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H24O10
Molecular Weight 412.3886
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 5 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 13:26:18 UTC 2021
Edited
by admin
on Sat Jun 26 13:26:18 UTC 2021
Record UNII
L943Z69B8Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CARBOXYIBUPROFEN-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-(4-(2-CARBOXYPROPYL)-.ALPHA.-METHYLBENZENEACETATE)
Systematic Name English
Code System Code Type Description
CAS
171979-65-0
Created by admin on Sat Jun 26 13:26:19 UTC 2021 , Edited by admin on Sat Jun 26 13:26:19 UTC 2021
PRIMARY
PUBCHEM
135390721
Created by admin on Sat Jun 26 13:26:19 UTC 2021 , Edited by admin on Sat Jun 26 13:26:19 UTC 2021
PRIMARY
FDA UNII
L943Z69B8Y
Created by admin on Sat Jun 26 13:26:19 UTC 2021 , Edited by admin on Sat Jun 26 13:26:19 UTC 2021
PRIMARY
Related Record Type Details
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