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Synthalin A (sulfate)

CAT: 0804-HY-101048Size: 1 EachDry Ice: NoHazardous: No
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Description
Synthalin A sulfate is a biguanylated diamine with antibacterial and hypoglycemic properties. Synthalin A sulfate against S. aureus with a MIC of 64 μg/mL[1].
CAS Number
182285-12-7
UNSPSC
12352211
Target
Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Infection; Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/synthalin-a-sulfate.html
Solubility
10 mM in DMSO
Smiles
NC(NCCCCCCCCCCNC(N)=N)=N.O=S(O)(O)=O
Molecular Formula
C12H30N6O4S
Molecular Weight
354.47
References & Citations
[1]Daniele Castagnolo, et al. Guanylated diamines, triamines, and polyamines: chemistry and biological properties. Chem Rev. 2011 Sep 14;111 (9) :5247-300.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Synthalin sulfate
CAS Number182285-12-7
PubChem CID176520395
IUPAC Name1-[10-(diaminomethylideneamino)decyl]guanidine;sulfuric acid
Molecular FormulaC12H30N6O4S
Molecular Weight354.47
Topological Polar Surface Area209
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count23
Formal Charge0
Complexity316
SMILES
C(CCCCCN=C(N)N)CCCCNC(=N)N.OS(=O)(=O)O
InChI
InChI=1S/C12H28N6.H2O4S/c13-11(14)17-9-7-5-3-1-2-4-6-8-10-18-12(15)16;1-5(2,3)4/h1-10H2,(H4,13,14,17)(H4,15,16,18);(H2,1,2,3,4)
InChIKey
MNKRJRJDADVBJJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Synthalin sulfate
CAS: 182285-12-7
CID: 176520395
Formula: C12H30N6O4S
MW: 354.47
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.47
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass354.20492463
Monoisotopic Mass354.20492463
Topological Polar Surface Area209 Ų
Heavy Atom Count23
Formal Charge0
Complexity316
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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