1-(10-carbamimidamidodecyl)guanidine; sulfuric acid

• ChemBase ID: 105090
• Molecular Formular: C12H30N6O4S
• Molecular Mass: 354.4694
• Monoisotopic Mass: 354.20492447
• SMILES: NC(=N)NCCCCCCCCCCNC(=N)N.OS(=O)(=O)O
• Canonical SMILES: OS(=O)(=O)O.NC(=N)NCCCCCCCCCCNC(=N)N
• 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(10-carbamimidamidodecyl)guanidine; sulfuric acid
• IUPAC Traditional name: 1-(10-carbamimidamidodecyl)guanidine; sulfuric acid
• Synonyms: N,N'-1,10-Decanediyl-bis (guanidine) sulfate; SYNTHALIN SULFATE SALT

Database IDs

• CAS Number: 111-23-9
• EC Number: 203-848-1
• PubChem SID: 162093275
• PubChem CID: 44134960

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 6
• LogD (pH = 5.5): -3.6761296
• LogD (pH = 7.4): -3.6731012
• Log P: 1.1547502
• Molar Refractivity: 96.4138 cm^3
• Polarizability: 28.83065 Å^3
• Polar Surface Area: 123.8 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Condition: -20°C

Product Information

• Purity: 99%

DETAILS

MP Biomedicals - 02158740

Sulfate Salt
Purity: 99%
NMDA receptor polyamine site competitive antagonist.

REFERENCES

• Reynolds, I.J., et al., J. Pharmacol. Exp. Ther. , 259 : 626, (1992).