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Tomeglovir

CAT: 0607-BA1603-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA1603-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
233254-24-5
Form
A solid
Molecular Formula
C23H27N3O4S
Molecular Weight
441.54
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Tomeglovir

Tomeglovir is a small molecule drug. The usage of the INN stem '-vir' in the name indicates that Tomeglovir is a antiviral. Tomeglovir has a monoisotopic molecular weight of 441.17 Da.

CAS Number233254-24-5
PubChem CID475330
IUPAC NameN-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-3-hydroxy-2,2-dimethylpropanamide
Molecular FormulaC23H27N3O4S
Molecular Weight441.5
XLogP3.7
Topological Polar Surface Area107
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity711
SMILES
CC(C)(CO)C(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C
InChI
InChI=1S/C23H27N3O4S/c1-23(2,15-27)22(28)24-16-11-13-17(14-12-16)25-31(29,30)21-10-6-7-18-19(21)8-5-9-20(18)26(3)4/h5-14,25,27H,15H2,1-4H3,(H,24,28)
InChIKey
OSQAKHSYTKBSPB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tomeglovir
CAS: 233254-24-5
CID: 475330
Formula: C23H27N3O4S
MW: 441.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight441.5
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass441.17222752
Monoisotopic Mass441.17222752
Topological Polar Surface Area107 Ų
Heavy Atom Count31
Formal Charge0
Complexity711
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes