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Nesosteine

CAT: 0931-T33647-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T33647-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
84233-61-4
Target
Others
Related Pathways
Others
Bioactivity
Nesosteine is a mucoregulatory agent.
Smiles
C(=O)(C1=C(C(O)=O)C=CC=C1)N2CCSC2
Molecular Formula
C11H11NO3S
Molecular Weight
237.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Nesosteine

Nesosteine is a small molecule drug. Nesosteine has a monoisotopic molecular weight of 237.05 Da.

CAS Number84233-61-4
PubChem CID158613
IUPAC Name2-(1,3-thiazolidine-3-carbonyl)benzoic acid
Molecular FormulaC11H11NO3S
Molecular Weight237.28
XLogP1.4
Topological Polar Surface Area82.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity295
SMILES
C1CSCN1C(=O)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C11H11NO3S/c13-10(12-5-6-16-7-12)8-3-1-2-4-9(8)11(14)15/h1-4H,5-7H2,(H,14,15)
InChIKey
XVAYJUBRRZOANH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nesosteine
CAS: 84233-61-4
CID: 158613
Formula: C11H11NO3S
MW: 237.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight237.28
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass237.04596439
Monoisotopic Mass237.04596439
Topological Polar Surface Area82.9 Ų
Heavy Atom Count16
Formal Charge0
Complexity295
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

Alternative Products

CatalogName
HY-158337-01Nesosteine
BUP11642-01Nesosteine Lithium
GTR19236724-01Nesosteine sodium salt
HY-165508Nesosteine (free acid)

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