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Details

Stereochemistry ACHIRAL
Molecular Formula C24H29N7O5S
Molecular Weight 527.598
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(6-((6-ACETYL-8-CYCLOPENTYL-5-METHYL-7-OXO-7,8-DIHYDROPYRIDO(2,3-D)PYRIMIDIN-2-YL)AMINO)PYRIDIN-3-YL)PIPERAZINE-1-SULFONIC ACID

SMILES

Cc1c2cnc(Nc3ccc(cn3)N4CCN(CC4)S(=O)(=O)O)nc2n(C5CCCC5)c(=O)c1C(=O)C

InChI

InChIKey=WBFWRHIVAYRQQB-UHFFFAOYSA-N
InChI=1S/C24H29N7O5S/c1-15-19-14-26-24(28-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32)27-20-8-7-18(13-25-20)29-9-11-30(12-10-29)37(34,35)36/h7-8,13-14,17H,3-6,9-12H2,1-2H3,(H,34,35,36)(H,25,26,27,28)

HIDE SMILES / InChI

Molecular Formula C24H29N7O5S
Molecular Weight 527.598
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 01:07:11 UTC 2021
Edited
by admin
on Sat Jun 26 01:07:11 UTC 2021
Record UNII
H08S5BQ3TJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(6-((6-ACETYL-8-CYCLOPENTYL-5-METHYL-7-OXO-7,8-DIHYDROPYRIDO(2,3-D)PYRIMIDIN-2-YL)AMINO)PYRIDIN-3-YL)PIPERAZINE-1-SULFONIC ACID
Systematic Name English
PALBOCICLIB M11 METABOLITE
Common Name English
Code System Code Type Description
FDA UNII
H08S5BQ3TJ
Created by admin on Sat Jun 26 01:07:11 UTC 2021 , Edited by admin on Sat Jun 26 01:07:11 UTC 2021
PRIMARY
PUBCHEM
91936882
Created by admin on Sat Jun 26 01:07:11 UTC 2021 , Edited by admin on Sat Jun 26 01:07:11 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
PLASMA