1-(5-((4-(4-CHLORO-2-THIENYL)-5-(4-CYCLOHEXYLPIPERAZIN-1-YL)THIAZOL-2-YL)CARBAMOYL)-3-HYDROXY-2-PYRIDYL)PIPERIDINE-4-CARBOXYLIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H35ClN6O4S2
Molecular Weight	631.209
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-(5-((4-(4-CHLORO-2-THIENYL)-5-(4-CYCLOHEXYLPIPERAZIN-1-YL)THIAZOL-2-YL)CARBAMOYL)-3-HYDROXY-2-PYRIDYL)PIPERIDINE-4-CARBOXYLIC ACID

Structure Search

SMILES

OC(=O)C1CCN(CC1)C2=NC=C(C=C2O)C(=O)NC3=NC(C4=CC(Cl)=CS4)=C(S3)N5CCN(CC5)C6CCCCC6

InChI

InChIKey=LIPXETALUMGQRA-UHFFFAOYSA-N

InChI=1S/C29H35ClN6O4S2/c30-20-15-23(41-17-20)24-27(36-12-10-34(11-13-36)21-4-2-1-3-5-21)42-29(32-24)33-26(38)19-14-22(37)25(31-16-19)35-8-6-18(7-9-35)28(39)40/h14-18,21,37H,1-13H2,(H,39,40)(H,32,33,38)

HIDE SMILES / InChI

Molecular Formula	C29H35ClN6O4S2
Molecular Weight	631.209
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:47:51 GMT 2023` Edited by `admin` on `Sat Dec 16 14:47:51 GMT 2023`
Record UNII	WH4VBD5V22
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-(5-((4-(4-CHLORO-2-THIENYL)-5-(4-CYCLOHEXYLPIPERAZIN-1-YL)THIAZOL-2-YL)CARBAMOYL)-3-HYDROXY-2-PYRIDYL)PIPERIDINE-4-CARBOXYLIC ACID

Systematic Name

English

3-HYDROXY-AVATROMBOPAG

Common Name

English

AVATROMBOPAG METABOLITE (3-HYDROXY-AVATROMBOPAG)

Common Name

English

4-PIPERIDINECARBOXYLIC ACID, 1-(5-(((4-(4-CHLORO-2-THIENYL)-5-(4-CYCLOHEXYL-1-PIPERAZINYL)-2-THIAZOLYL)AMINO)CARBONYL)-3-HYDROXY-2-PYRIDINYL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

WH4VBD5V22

Created by admin on Sat Dec 16 14:47:51 GMT 2023 , Edited by admin on Sat Dec 16 14:47:51 GMT 2023

PRIMARY

PUBCHEM

155804710

Created by admin on Sat Dec 16 14:47:51 GMT 2023 , Edited by admin on Sat Dec 16 14:47:51 GMT 2023

PRIMARY

PUBCHEM

CAS

1290121-42-4

Created by admin on Sat Dec 16 14:47:51 GMT 2023 , Edited by admin on Sat Dec 16 14:47:51 GMT 2023

PRIMARY

Related Record Type Details


					3H8GSZ4SQL

AVATROMBOPAG

PARENT -> METABOLITE

Comments:

Avatrombopag's metabolites were detected in feces. There were no metabolites detected in plasma.

Amount: