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Details

Stereochemistry ACHIRAL
Molecular Formula C22H26BrN7O
Molecular Weight 484.392
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-DESACETYL-6-BROMO PALBOCICLIB

SMILES

CC1=C(Br)C(=O)N(C2CCCC2)C3=NC(NC4=NC=C(C=C4)N5CCNCC5)=NC=C13

InChI

InChIKey=DZCHDINWDGTTBZ-UHFFFAOYSA-N
InChI=1S/C22H26BrN7O/c1-14-17-13-26-22(27-18-7-6-16(12-25-18)29-10-8-24-9-11-29)28-20(17)30(21(31)19(14)23)15-4-2-3-5-15/h6-7,12-13,15,24H,2-5,8-11H2,1H3,(H,25,26,27,28)

HIDE SMILES / InChI

Molecular Formula C22H26BrN7O
Molecular Weight 484.392
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 18:36:07 GMT 2023
Edited
by admin
on Sat Dec 16 18:36:07 GMT 2023
Record UNII
MGB9JX8TMP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-DESACETYL-6-BROMO PALBOCICLIB
Common Name English
PYRIDO(2,3-D)PYRIMIDIN-7(8H)-ONE, 6-BROMO-8-CYCLOPENTYL-5-METHYL-2-((5-(1-PIPERAZINYL)-2-PYRIDINYL)AMINO)-
Systematic Name English
Code System Code Type Description
FDA UNII
MGB9JX8TMP
Created by admin on Sat Dec 16 18:36:07 GMT 2023 , Edited by admin on Sat Dec 16 18:36:07 GMT 2023
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CAS
851067-56-6
Created by admin on Sat Dec 16 18:36:07 GMT 2023 , Edited by admin on Sat Dec 16 18:36:07 GMT 2023
PRIMARY
PUBCHEM
5330284
Created by admin on Sat Dec 16 18:36:07 GMT 2023 , Edited by admin on Sat Dec 16 18:36:07 GMT 2023
PRIMARY