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Zandatrigine

CAT: 0607-BA6959-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA6959-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2154406-04-7
Form
A solid
Molecular Formula
C22H25FN4O2S2
Molecular Weight
460.59
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Nbi-921352

Zandatrigine is under investigation in clinical trial NCT05226780 (Extension Study to Evaluate How Safe and Tolerable NBI-921352 Is as an Adjunctive Therapy for Participants With SCN8A-DEE).

CAS Number2154406-04-7
PubChem CID132141687
IUPAC Name4-[[(3S)-1-benzylpyrrolidin-3-yl]-methylamino]-2-fluoro-5-methyl-N-(1,3-thiazol-4-yl)benzenesulfonamide
Molecular FormulaC22H25FN4O2S2
Molecular Weight460.6
XLogP4.1
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity685
SMILES
CC1=CC(=C(C=C1N(C)[C@H]2CCN(C2)CC3=CC=CC=C3)F)S(=O)(=O)NC4=CSC=N4
InChI
InChI=1S/C22H25FN4O2S2/c1-16-10-21(31(28,29)25-22-14-30-15-24-22)19(23)11-20(16)26(2)18-8-9-27(13-18)12-17-6-4-3-5-7-17/h3-7,10-11,14-15,18,25H,8-9,12-13H2,1-2H3/t18-/m0/s1
InChIKey
UCSHINHOAVARGQ-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of Nbi-921352
CAS: 2154406-04-7
CID: 132141687
Formula: C22H25FN4O2S2
MW: 460.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.6
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass460.14029656
Monoisotopic Mass460.14029656
Topological Polar Surface Area102 Ų
Heavy Atom Count31
Formal Charge0
Complexity685
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-147423-01Zandatrigine

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