Basic information
- CAS
45021-15-6- Standard SMILES
C[N+](C)(C)CC(O)C[N+](C)(C)C- InChIKey
SEOAESNTVSJYIF-UHFFFAOYSA-N- Molecular formula
- C9H24N2O+2
- Average molar mass
- 176.3 g/mol
- Monoisotopic mass
- 176.18886339
Overview
for treatment of hyperthyroidism; RN given refers to diiodide
Names & identifiers
- Preferred name
- Prolonium
- IUPAC
- [2-hydroxy-3-(trimethylazaniumyl)propyl]-trimethylazanium
Names & synonyms
ProloniumProlonium ionProlonium cationB7I54M7Z1245021-15-62-Hydroxy-N,N,N,N',N',N'-hexamethyl-1,3-propanediaminium1,3-Propanediaminium, 2-hydroxy-N,N,N,N',N',N'-hexamethyl-1,3-Propanediaminium, 2-hydroxy-N1,N1,N1,N3,N3,N3-hexamethyl-1,3-Propanediaminium, 2-hydroxy-N1,N1,N1,N3,N3,N3-hexamethyl-, chlorideRefChem:176203UNII-B7I54M7Z12PROLONIUM [WHO-DD]
Show more names
SCHEMBL1649967CHEMBL1180550[2-hydroxy-3-(trimethylazaniumyl)propyl]-trimethylazaniumDTXSID70861761NS00127731Q272744712-Hydroxy-N~1~,N~1~,N~1~,N~3~,N~3~,N~3~-hexamethylpropane-1,3-bis(aminium)
Database identifiers
- CAS
45021-15-6- PubChem CID
- 67159
- DTXSID
DTXSID70861761- ChEMBL
CHEMBL1180550- UNII
- B7I54M7Z12
- Nikkaji
- J238.270I
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 2
- Complexity
- 116
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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