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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(CSC[C@H](N)C(O)=O)C(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 Sat Dec 16 15:10:26 GMT 2023
Edited
by admin
on Sat Dec 16 15:10:26 GMT 2023
Record UNII
6TZ7RJ95YR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
CYSTEINE CONJUGATION METABOLITE OF ELTROMBOPAG
Common Name English
ELTROMBOPAG METABOLITE M6
Common Name English
Code System Code Type Description
FDA UNII
6TZ7RJ95YR
Created by admin on Sat Dec 16 15:10:26 GMT 2023 , Edited by admin on Sat Dec 16 15:10:26 GMT 2023
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