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

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

Structure Search

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](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NCC(O)=O)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 `Wed Apr 02 04:48:02 GMT 2025` Edited by `admin` on `Wed Apr 02 04:48:02 GMT 2025`
Record UNII	ZT5EZ569F9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ELTROMBOPAG METABOLITE M5

Preferred Name

English

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

GLUTATHIONE CONJUGATION METABOLITE OF ELTROMBOPAG

Common Name

English

Code System Code Type Description

FDA UNII

ZT5EZ569F9

Created by admin on Wed Apr 02 04:48:02 GMT 2025 , Edited by admin on Wed Apr 02 04:48:02 GMT 2025

PRIMARY

CAS

1396009-06-5

Created by admin on Wed Apr 02 04:48:02 GMT 2025 , Edited by admin on Wed Apr 02 04:48:02 GMT 2025

PRIMARY

Related Record Type Details


					S56D65XJ9G

Eltrombopag

PARENT -> METABOLITE

Comments:

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.

Qualification:

FECAL