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Details

Stereochemistry ACHIRAL
Molecular Formula C24H29N7O2.ClH
Molecular Weight 483.994
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PALBOCICLIB HYDROCHLORIDE

SMILES

Cl.CC(=O)C1=C(C)C2=CN=C(NC3=CC=C(C=N3)N4CCNCC4)N=C2N(C5CCCC5)C1=O

InChI

InChIKey=STEQOHNDWONVIF-UHFFFAOYSA-N
InChI=1S/C24H29N7O2.ClH/c1-15-19-14-27-24(28-20-8-7-18(13-26-20)30-11-9-25-10-12-30)29-22(19)31(17-5-3-4-6-17)23(33)21(15)16(2)32;/h7-8,13-14,17,25H,3-6,9-12H2,1-2H3,(H,26,27,28,29);1H

HIDE SMILES / InChI

Molecular Formula C24H29N7O2
Molecular Weight 447.5328
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
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 10:12:30 UTC 2023
Edited
by admin
on Sat Dec 16 10:12:30 UTC 2023
Record UNII
BKC4F3Q5XL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PALBOCICLIB HYDROCHLORIDE
Common Name English
PYRIDO(2,3-D)PYRIMIDIN-7(8H)-ONE, 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-((5-(1-PIPERAZINYL)-2-PYRIDINYL)AMINO)-, MONOHYDROCHLORIDE
Systematic Name English
PD-0332991 HYDROCHLORIDE
Code English
PALBOCICLIB HYDROCHLORIDE [MI]
Common Name English
PYRIDO(2,3-D)PYRIMIDIN-7(8H)-ONE, 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-((5-(1-PIPERAZINYL)-2-PYRIDINYL)AMINO)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
SMS_ID
100000175819
Created by admin on Sat Dec 16 10:12:30 UTC 2023 , Edited by admin on Sat Dec 16 10:12:30 UTC 2023
PRIMARY
MERCK INDEX
m11849
Created by admin on Sat Dec 16 10:12:30 UTC 2023 , Edited by admin on Sat Dec 16 10:12:30 UTC 2023
PRIMARY
PUBCHEM
11431660
Created by admin on Sat Dec 16 10:12:30 UTC 2023 , Edited by admin on Sat Dec 16 10:12:30 UTC 2023
PRIMARY
FDA UNII
BKC4F3Q5XL
Created by admin on Sat Dec 16 10:12:30 UTC 2023 , Edited by admin on Sat Dec 16 10:12:30 UTC 2023
PRIMARY
EPA CompTox
DTXSID00465655
Created by admin on Sat Dec 16 10:12:30 UTC 2023 , Edited by admin on Sat Dec 16 10:12:30 UTC 2023
PRIMARY
CAS
827022-32-2
Created by admin on Sat Dec 16 10:12:30 UTC 2023 , Edited by admin on Sat Dec 16 10:12:30 UTC 2023
PRIMARY
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