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Details

Stereochemistry ACHIRAL
Molecular Formula C29H35ClN6O4S2
Molecular Weight 631.2122
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

C1CCC(CC1)N2CCN(CC2)c3c(-c4cc(cs4)Cl)nc(N=C(c5cc(c(nc5)N6CCC(CC6)C(=O)O)O)O)s3

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 631.2122
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 Jun 26 08:57:15 UTC 2021
Edited
by admin
on Sat Jun 26 08:57:15 UTC 2021
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 Sat Jun 26 08:57:15 UTC 2021 , Edited by admin on Sat Jun 26 08:57:15 UTC 2021
PRIMARY
PUBCHEM
155804710
Created by admin on Sat Jun 26 08:57:15 UTC 2021 , Edited by admin on Sat Jun 26 08:57:15 UTC 2021
PRIMARY PUBCHEM
CAS
1290121-42-4
Created by admin on Sat Jun 26 08:57:15 UTC 2021 , Edited by admin on Sat Jun 26 08:57:15 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
Avatrombopag's metabolites were detected in feces. There were no metabolites detected in plasma.