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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H27N5O6S
Molecular Weight 561.609
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-(3-((2Z)-2-(1-(4-((2-AMINO-3-HYDROXY-3-OXO-PROPYL)SULFANYLMETHYL)-3-METHYL-PHENYL)-3-METHYL-5-OXO-PYRAZOL-4-YLIDENE)HYDRAZINO)-2-HYDROXY-PHENYL)BENZOIC ACID

SMILES

CC1=NN(C(=O)\C1=N/NC2=C(O)C(=CC=C2)C3=CC(=CC=C3)C(O)=O)C4=CC(C)=C(CSC[C@H](N)C(O)=O)C=C4

InChI

InChIKey=ZYABNQWUPLYUBK-CPKZMSMUSA-N
InChI=1S/C28H27N5O6S/c1-15-11-20(10-9-19(15)13-40-14-22(29)28(38)39)33-26(35)24(16(2)32-33)31-30-23-8-4-7-21(25(23)34)17-5-3-6-18(12-17)27(36)37/h3-12,22,30,34H,13-14,29H2,1-2H3,(H,36,37)(H,38,39)/b31-24-/t22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H27N5O6S
Molecular Weight 561.609
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 04:33:03 GMT 2025
Edited
by admin
on Wed Apr 02 04:33:03 GMT 2025
Record UNII
6TZ7RJ95YR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYSTEINE CONJUGATION METABOLITE OF ELTROMBOPAG
Preferred Name English
3-(3-((2Z)-2-(1-(4-((2-AMINO-3-HYDROXY-3-OXO-PROPYL)SULFANYLMETHYL)-3-METHYL-PHENYL)-3-METHYL-5-OXO-PYRAZOL-4-YLIDENE)HYDRAZINO)-2-HYDROXY-PHENYL)BENZOIC ACID
Systematic Name English
ELTROMBOPAG METABOLITE M6
Common Name English
Code System Code Type Description
FDA UNII
6TZ7RJ95YR
Created by admin on Wed Apr 02 04:33:03 GMT 2025 , Edited by admin on Wed Apr 02 04:33:03 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Three coeluting glutathione-related conjugates of eltrombopag (M5, glutathione; M6, cysteine; and M7, glutamyl cysteine) were also prominent, together accounting for another 21% of the dose in the feces.
MAJOR
FECAL