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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H28ClN5O2.ClH
Molecular Weight 466.404
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Zemirciclib hydrochloride

SMILES

Cl.CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)NC2=NC=C(Cl)C(=C2)C3=C4CC(C)(C)CN4N=C3

InChI

InChIKey=OGHGFWVFGFROOF-LDXVYITESA-N
InChI=1S/C22H28ClN5O2.ClH/c1-13(29)26-15-6-4-5-14(7-15)21(30)27-20-8-16(18(23)11-24-20)17-10-25-28-12-22(2,3)9-19(17)28;/h8,10-11,14-15H,4-7,9,12H2,1-3H3,(H,26,29)(H,24,27,30);1H/t14-,15+;/m0./s1

HIDE SMILES / InChI

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

Molecular Formula C22H28ClN5O2
Molecular Weight 429.943
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:23:13 GMT 2025
Edited
by admin
on Wed Apr 02 19:23:13 GMT 2025
Record UNII
QU6S7J4YCM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Zemirciclib hydrochloride
Common Name English
Cyclohexanecarboxamide, 3-(acetylamino)-N-[5-chloro-4-(5,6-dihydro-5,5-dimethyl-4H-pyrrolo[1,2-b]pyrazol-3-yl)-2-pyridinyl]-, hydrochloride (1:1), (1S,3R)-
Preferred Name English
Code System Code Type Description
FDA UNII
QU6S7J4YCM
Created by admin on Wed Apr 02 19:23:13 GMT 2025 , Edited by admin on Wed Apr 02 19:23:13 GMT 2025
PRIMARY
CAS
2601437-68-5
Created by admin on Wed Apr 02 19:23:13 GMT 2025 , Edited by admin on Wed Apr 02 19:23:13 GMT 2025
PRIMARY
PUBCHEM
154701609
Created by admin on Wed Apr 02 19:23:13 GMT 2025 , Edited by admin on Wed Apr 02 19:23:13 GMT 2025
PRIMARY
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