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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H23N3O7
Molecular Weight 393.3911
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-AMINO-1-(3,4-DIMETHYLPHENYL)-3-METHYL-1H-PYRAZOL-5-YL

SMILES

CC1=NN(C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=C1N)C3=CC(C)=C(C)C=C3

InChI

InChIKey=PCQHGLOJFPSSEK-GLRLOKQVSA-N
InChI=1S/C18H23N3O7/c1-7-4-5-10(6-8(7)2)21-16(11(19)9(3)20-21)28-18-14(24)12(22)13(23)15(27-18)17(25)26/h4-6,12-15,18,22-24H,19H2,1-3H3,(H,25,26)/t12-,13-,14+,15-,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H23N3O7
Molecular Weight 393.3911
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 Wed Apr 02 01:40:45 GMT 2025
Edited
by admin
on Wed Apr 02 01:40:45 GMT 2025
Record UNII
JH69S2D5D4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-AMINO-1-(3,4-DIMETHYLPHENYL)-3-METHYL-1H-PYRAZOL-5-YL
Systematic Name English
ELTROMBOPAG METABOLITE M4
Preferred Name English
4-AMINO-1-(3,4-DIMETHYLPHENYL)-3-METHYL-1H-PYRAZOL-5-YL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
JH69S2D5D4
Created by admin on Wed Apr 02 01:40:45 GMT 2025 , Edited by admin on Wed Apr 02 01:40:45 GMT 2025
PRIMARY
PUBCHEM
156028038
Created by admin on Wed Apr 02 01:40:45 GMT 2025 , Edited by admin on Wed Apr 02 01:40:45 GMT 2025
PRIMARY
CAS
1395101-34-4
Created by admin on Wed Apr 02 01:40:45 GMT 2025 , Edited by admin on Wed Apr 02 01:40:45 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE