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Trilaciclib hydrochloride 50mg

CAT: 0628-A22034-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A22034-50Size:50 mg
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CAS Number
1977495-97-8

Chemical Information

Trilaciclib dihydrochloride
CAS Number1977495-97-8
PubChem CID124081865
IUPAC Name4-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]spiro[1,3,5,11-tetrazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-10-one;dihydrochloride
Molecular FormulaC24H32Cl2N8O
Molecular Weight519.5
Topological Polar Surface Area91.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count35
Formal Charge0
Complexity707
SMILES
CN1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C=C5C(=O)NCC6(N5C4=N3)CCCCC6.Cl.Cl
InChI
InChI=1S/C24H30N8O.2ClH/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23;;/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29);2*1H
InChIKey
BRCYOXKEDFAUSA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trilaciclib dihydrochloride
CAS: 1977495-97-8
CID: 124081865
Formula: C24H32Cl2N8O
MW: 519.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight519.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass518.2076131
Monoisotopic Mass518.2076131
Topological Polar Surface Area91.2 Ų
Heavy Atom Count35
Formal Charge0
Complexity707
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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