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Details

Stereochemistry ACHIRAL
Molecular Formula C29H37N7O4
Molecular Weight 547.6486
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-BOC PALBOCICLIB

SMILES

CC(=O)C1=C(C)C2=CN=C(NC3=NC=C(C=C3)N4CCN(CC4)C(=O)OC(C)(C)C)N=C2N(C5CCCC5)C1=O

InChI

InChIKey=QVJKVBFRYVEWGO-UHFFFAOYSA-N
InChI=1S/C29H37N7O4/c1-18-22-17-31-27(33-25(22)36(20-8-6-7-9-20)26(38)24(18)19(2)37)32-23-11-10-21(16-30-23)34-12-14-35(15-13-34)28(39)40-29(3,4)5/h10-11,16-17,20H,6-9,12-15H2,1-5H3,(H,30,31,32,33)

HIDE SMILES / InChI

Approval Year

Name Type Language
N-BOC PALBOCICLIB
Common Name English
1-PIPERAZINECARBOXYLIC ACID, 4-(6-((6-ACETYL-8-CYCLOPENTYL-7,8-DIHYDRO-5-METHYL-7-OXOPYRIDO(2,3-D)PYRIMIDIN-2-YL)AMINO)-3-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER
Systematic Name English
1,1-DIMETHYLETHYL 4-(6-((6-ACETYL-8-CYCLOPENTYL-7,8-DIHYDRO-5-METHYL-7-OXOPYRIDO(2,3-D)PYRIMIDIN-2-YL)AMINO)-3-PYRIDINYL)-1-PIPERAZINECARBOXYLATE
Systematic Name English
Code System Code Type Description
PUBCHEM
118906233
Created by admin on Sat Dec 16 19:00:34 GMT 2023 , Edited by admin on Sat Dec 16 19:00:34 GMT 2023
PRIMARY
FDA UNII
CBC6ZM9VNH
Created by admin on Sat Dec 16 19:00:34 GMT 2023 , Edited by admin on Sat Dec 16 19:00:34 GMT 2023
PRIMARY
CAS
1651214-74-2
Created by admin on Sat Dec 16 19:00:34 GMT 2023 , Edited by admin on Sat Dec 16 19:00:34 GMT 2023
PRIMARY