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Zifaxaban

CAT: 0607-BA7705-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA7705-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1378266-98-8
Molecular Formula
C20H16ClN3O4S
Molecular Weight
429.88
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Zifaxaban
CAS Number1378266-98-8
PubChem CID60172452
IUPAC Name5-chloro-N-[[(5S)-2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
Molecular FormulaC20H16ClN3O4S
Molecular Weight429.9
XLogP3.5
Topological Polar Surface Area107
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity723
SMILES
C1[C@@H](OC(=O)N1C2=CC=C(C=C2)N3C=CC=CC3=O)CNC(=O)C4=CC=C(S4)Cl
InChI
InChI=1S/C20H16ClN3O4S/c21-17-9-8-16(29-17)19(26)22-11-15-12-24(20(27)28-15)14-6-4-13(5-7-14)23-10-2-1-3-18(23)25/h1-10,15H,11-12H2,(H,22,26)/t15-/m0/s1
InChIKey
MXWOUAQNXIUJIN-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of Zifaxaban
CAS: 1378266-98-8
CID: 60172452
Formula: C20H16ClN3O4S
MW: 429.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.9
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass429.0550049
Monoisotopic Mass429.0550049
Topological Polar Surface Area107 Ų
Heavy Atom Count29
Formal Charge0
Complexity723
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-122592Zifaxaban

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