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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H20N2O8
Molecular Weight 380.35
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(HYDROXYMETHYL)ANTIPYRINE GLUCURONIDE

SMILES

Cn1c(cc(=O)n1-c2ccccc2)CO[C@@]3([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O3)O)O)O

InChI

InChIKey=OYKBUCQWAWCHOI-KSXIZUIISA-N
InChI=1S/C17H20N2O8/c1-18-10(7-11(20)19(18)9-5-3-2-4-6-9)8-26-17-14(23)12(21)13(22)15(27-17)16(24)25/h2-7,12-15,17,21-23H,8H2,1H3,(H,24,25)/t12-,13-,14+,15-,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H20N2O8
Molecular Weight 380.35
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 Jun 26 06:11:47 UTC 2021
Edited
by admin
on Sat Jun 26 06:11:47 UTC 2021
Record UNII
PE6H2RD2JH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(HYDROXYMETHYL)ANTIPYRINE GLUCURONIDE
Common Name English
(2,5-DIHYDRO-2-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-3-YL)METHYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (2,5-DIHYDRO-2-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-3-YL)METHYL
Systematic Name English
Code System Code Type Description
CAS
84666-95-5
Created by admin on Sat Jun 26 06:11:47 UTC 2021 , Edited by admin on Sat Jun 26 06:11:47 UTC 2021
PRIMARY
PUBCHEM
155804757
Created by admin on Sat Jun 26 06:11:47 UTC 2021 , Edited by admin on Sat Jun 26 06:11:47 UTC 2021
PRIMARY PUBCHEM
FDA UNII
PE6H2RD2JH
Created by admin on Sat Jun 26 06:11:47 UTC 2021 , Edited by admin on Sat Jun 26 06:11:47 UTC 2021
PRIMARY
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