Basic information
- CAS
13380-01-3- Standard SMILES
Cc1ccc(S(=O)(=O)NCCCNCCCNS(=O)(=O)c2ccc(C)cc2)cc1.Cl- InChIKey
QMDIBHGMMFHRMW-UHFFFAOYSA-N- Molecular formula
- C20H30ClN3O4S2
- Average molar mass
- 476.1 g/mol
- Monoisotopic mass
- 475.1366265
Overview
therapeutic agent for myocardial necrosis; RN given refers to HCl
Names & identifiers
- Preferred name
- N,N'-(iminoditrimethylene)di-p-toluenesulfonamide
- IUPAC
- 4-methyl-N-[3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propyl]benzenesulfonamide;hydrochloride
Names & synonyms
N,N'-(Iminoditrimethylene)di-p-toluenesulfonamide13380-01-3DTXSID40158372N,N'-(Iminodi-3,1-propanediyl)bis(4-methylbenzenesulfonamide)RefChem:160912DTXCID1080863Ro 5-5340ZXQ5F6SLG5Benzenesulfonamide, N,N'-(iminodi-3,1-propanediyl)bis[4-methyl-, monohydrochloride4-methyl-N-[3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propyl]benzenesulfonamide;hydrochlorideN,N'-(Iminoditrimethylene)di-p-toluenesulfonamide hydrochlorideN,N'-(Iminobis(trimethylene))bis-p-toluenesulfonamide hydrochloride
Show more names
p-Toluenesulfonamide, N,N'-[iminobis(trimethylene)]bis-, monohydrochlorideN,N'-[Azanediyldi(propane-3,1-diyl)]bis(4-methylbenzene-1-sulfonamide)--hydrogen chloride (1/1)
Database identifiers
- CAS
13380-01-3- PubChem CID
- 25933
- DTXSID
DTXSID40158372- UNII
- ZXQ5F6SLG5
Properties
Computed structural properties
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 597
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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