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Voreloxin Hydrochloride 5mg

CAT: 0628-A15280-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A15280-5Size:5 mg
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CAS Number
175519-16-1

Chemical Information

Voreloxin Hydrochloride
CAS Number175519-16-1
PubChem CID10343042
IUPAC Name7-[(3S,4S)-3-methoxy-4-(methylamino)pyrrolidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
Molecular FormulaC18H20ClN5O4S
Molecular Weight437.9
Topological Polar Surface Area136
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity662
SMILES
CN[C@H]1CN(C[C@@H]1OC)C2=NC3=C(C=C2)C(=O)C(=CN3C4=NC=CS4)C(=O)O.Cl
InChI
InChI=1S/C18H19N5O4S.ClH/c1-19-12-8-22(9-13(12)27-2)14-4-3-10-15(24)11(17(25)26)7-23(16(10)21-14)18-20-5-6-28-18;/h3-7,12-13,19H,8-9H2,1-2H3,(H,25,26);1H/t12-,13-;/m0./s1
InChIKey
JJZCCQHWCOXGCL-QNTKWALQSA-N
Chemical Structure
2D Structure
2D structure of Voreloxin Hydrochloride
CAS: 175519-16-1
CID: 10343042
Formula: C18H20ClN5O4S
MW: 437.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass437.0924530
Monoisotopic Mass437.0924530
Topological Polar Surface Area136 Ų
Heavy Atom Count29
Formal Charge0
Complexity662
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

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