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Maribavir Impurity 15

CAT: 1299-RM-M383015-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M383015-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
176161-47-0
Synonyms
(2S,3S,4R,5S) -2- (5,6-dichloro-2- (ethylamino) -1H-benzo[d]imidazol-1-yl) -5- (hydroxymethyl) tetrahydrofuran-3,4-diol
Molecular Formula
C14H17Cl2N3O4
Molecular Weight
362.21
Target Alternative Name
Maribavir

Chemical Information

NP3542Uzq9
CAS Number176161-47-0
PubChem CID54326069
IUPAC Name(2S,3S,4R,5S)-2-[5,6-dichloro-2-(ethylamino)benzimidazol-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular FormulaC14H17Cl2N3O4
Molecular Weight362.2
XLogP1.8
Topological Polar Surface Area99.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity421
SMILES
CCNC1=NC2=CC(=C(C=C2N1[C@@H]3[C@H]([C@H]([C@@H](O3)CO)O)O)Cl)Cl
InChI
InChI=1S/C14H17Cl2N3O4/c1-2-17-14-18-8-3-6(15)7(16)4-9(8)19(14)13-12(22)11(21)10(5-20)23-13/h3-4,10-13,20-22H,2,5H2,1H3,(H,17,18)/t10-,11-,12-,13-/m0/s1
InChIKey
SVALNXDOFLKESJ-CYDGBPFRSA-N
Chemical Structure
2D Structure
2D structure of NP3542Uzq9
CAS: 176161-47-0
CID: 54326069
Formula: C14H17Cl2N3O4
MW: 362.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.2
XLogP31.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass361.0596114
Monoisotopic Mass361.0596114
Topological Polar Surface Area99.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity421
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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