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Details

Stereochemistry ABSOLUTE
Molecular Formula C35H37N7O10S
Molecular Weight 747.774
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-(3-((2Z)-2-(1-(4-((2-(((4R)-4-AMINO-5-HYDROXY-5-OXO-PENTANOYL)AMINO)-3-(CARBOXYMETHYLAMINO)-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](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)C(C)=C4

InChI

InChIKey=DMFMVMLGDZHFRA-OBFJLNMCSA-N
InChI=1S/C35H37N7O10S/c1-18-13-23(10-9-22(18)16-53-17-27(32(47)37-15-29(44)45)38-28(43)12-11-25(36)35(51)52)42-33(48)30(19(2)41-42)40-39-26-8-4-7-24(31(26)46)20-5-3-6-21(14-20)34(49)50/h3-10,13-14,25,27,39,46H,11-12,15-17,36H2,1-2H3,(H,37,47)(H,38,43)(H,44,45)(H,49,50)(H,51,52)/b40-30-/t25-,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula C35H37N7O10S
Molecular Weight 747.774
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:13:11 UTC 2023
Edited
by admin
on Sat Dec 16 15:13:11 UTC 2023
Record UNII
ZT5EZ569F9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(3-((2Z)-2-(1-(4-((2-(((4R)-4-AMINO-5-HYDROXY-5-OXO-PENTANOYL)AMINO)-3-(CARBOXYMETHYLAMINO)-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 M5
Common Name English
GLUTATHIONE CONJUGATION METABOLITE OF ELTROMBOPAG
Common Name English
Code System Code Type Description
FDA UNII
ZT5EZ569F9
Created by admin on Sat Dec 16 15:13:11 UTC 2023 , Edited by admin on Sat Dec 16 15:13:11 UTC 2023
PRIMARY
CAS
1396009-06-5
Created by admin on Sat Dec 16 15:13:11 UTC 2023 , Edited by admin on Sat Dec 16 15:13:11 UTC 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 feces.
FECAL