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Ribociclib HCl

CAT: 0926-FR106415-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FR106415-02Size:50 mg
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CAS Number
1211443-80-9
MDL Number
MFCD28167745
Smiles
CN (C) C (=O) C1=CC2=CN=C (N=C2N1C3CCCC3) NC4=NC=C (C=C4) N5CCNCC5.Cl
Molecular Formula
C23H30N8O·HCl
Molecular Weight
471 g/mol
Controlled
No

Chemical Information

Ribociclib hydrochloride
CAS Number1211443-80-9
PubChem CID67242274
IUPAC Name7-cyclopentyl-N,N-dimethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;hydrochloride
Molecular FormulaC23H31ClN8O
Molecular Weight471.0
Topological Polar Surface Area91.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity635
SMILES
CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5.Cl
InChI
InChI=1S/C23H30N8O.ClH/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30;/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28);1H
InChIKey
JZRSIQPIKASMEV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ribociclib hydrochloride
CAS: 1211443-80-9
CID: 67242274
Formula: C23H31ClN8O
MW: 471.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight471.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass470.2309353
Monoisotopic Mass470.2309353
Topological Polar Surface Area91.2 Ų
Heavy Atom Count33
Formal Charge0
Complexity635
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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