U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

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 Thu Jul 06 20:21:26 UTC 2023
Edited
by admin
on Thu Jul 06 20:21:26 UTC 2023
Record UNII
WH4VBD5V22
Record Status Validated (UNII)
Record Version
  • Download
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 Thu Jul 06 20:21:27 UTC 2023 , Edited by admin on Thu Jul 06 20:21:27 UTC 2023
PRIMARY
PUBCHEM
155804710
Created by admin on Thu Jul 06 20:21:27 UTC 2023 , Edited by admin on Thu Jul 06 20:21:27 UTC 2023
PRIMARY PUBCHEM
CAS
1290121-42-4
Created by admin on Thu Jul 06 20:21:27 UTC 2023 , Edited by admin on Thu Jul 06 20:21:27 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Avatrombopag's metabolites were detected in feces. There were no metabolites detected in plasma.