N-Boc Palbociclib Hydrochloride

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H37N7O4.ClH
Molecular Weight	584.11
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-Boc Palbociclib Hydrochloride

Structure Search

SMILES

Cl.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=DFSWFKPSJUSRRN-UHFFFAOYSA-N

InChI=1S/C29H37N7O4.ClH/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);1H

HIDE SMILES / InChI

Molecular Formula	C29H37N7O4
Molecular Weight	547.6486
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 `Wed Apr 02 17:31:11 GMT 2025` Edited by `admin` on `Wed Apr 02 17:31:11 GMT 2025`
Record UNII	BK276TD2YG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-Boc Palbociclib Hydrochloride

Common Name

English

Pabociclib Impurity B Hydrochloride

Preferred Name

English

tert-Butyl 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-carboxylate hydrochloride

Systematic 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, hydrochloride (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

BK276TD2YG

Created by admin on Wed Apr 02 17:31:11 GMT 2025 , Edited by admin on Wed Apr 02 17:31:11 GMT 2025

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CAS

1883672-48-7

Created by admin on Wed Apr 02 17:31:11 GMT 2025 , Edited by admin on Wed Apr 02 17:31:11 GMT 2025

PRIMARY

PUBCHEM

118906232

Created by admin on Wed Apr 02 17:31:11 GMT 2025 , Edited by admin on Wed Apr 02 17:31:11 GMT 2025

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Amount: