Products for Research Use Only

Voruciclib hydrochloride 10mg

CAT: 0628-A21385-10Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0628-A21385-10Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1000023-05-1

Chemical Information

Voruciclib hydrochloride
CAS Number1000023-05-1
PubChem CID67409218
IUPAC Name2-[2-chloro-4-(trifluoromethyl)phenyl]-5,7-dihydroxy-8-[(2R,3S)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl]chromen-4-one;hydrochloride
Molecular FormulaC22H20Cl2F3NO5
Molecular Weight506.3
Topological Polar Surface Area90.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count33
Formal Charge0
Complexity750
SMILES
CN1CC[C@H]([C@@H]1CO)C2=C(C=C(C3=C2OC(=CC3=O)C4=C(C=C(C=C4)C(F)(F)F)Cl)O)O.Cl
InChI
InChI=1S/C22H19ClF3NO5.ClH/c1-27-5-4-12(14(27)9-28)19-15(29)7-16(30)20-17(31)8-18(32-21(19)20)11-3-2-10(6-13(11)23)22(24,25)26;/h2-3,6-8,12,14,28-30H,4-5,9H2,1H3;1H/t12-,14+;/m1./s1
InChIKey
QCWRANLELLMJSH-OJMBIDBESA-N
Chemical Structure
2D Structure
2D structure of Voruciclib hydrochloride
CAS: 1000023-05-1
CID: 67409218
Formula: C22H20Cl2F3NO5
MW: 506.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight506.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass505.0670626
Monoisotopic Mass505.0670626
Topological Polar Surface Area90.2 Ų
Heavy Atom Count33
Formal Charge0
Complexity750
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes