Stilbamidine di(beta-hydroxyethanesulfonate)
Basic information
- CAS
140-59-0- Standard SMILES
N=C(N)c1ccc(/C=C/c2ccc(C(=N)N)cc2)cc1.O=S(=O)(O)CCO- InChIKey
BAASZEYYPGGAPD-TYYBGVCCSA-N- Molecular formula
- C18H22N4O4S
- Average molar mass
- 390.5 g/mol
- Monoisotopic mass
- 390.13617637
Names & identifiers
- Preferred name
- Stilbamidine di(beta-hydroxyethanesulfonate)
- IUPAC
- 4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]benzenecarboximidamide;2-hydroxyethanesulfonic acid
- English name
- stilbamidine isetionate
- Molecular formula
- C16H16N4.2C2H6O4S
- Molecular weight
- 0
Names & synonyms
M & B 744SCHEMBL3934275NSC41802Stilbamidine di(.beta.-hydroxyethanesulfonate)4,4'-Stilbenedicarboxamidine di(.beta.-hydroxyethanesulfonate)STILBAMIDINEISETHIONATEstilbamidine isetionateStilbamidine Diisethionatep-Vinylenebisbenzamidine isethionate
Database identifiers
- CAS
140-59-0- PubChem CID
- 6474170
Properties
Computed structural properties
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 453
Physicochemical properties
- FDA UNII
- 56 ICS757E · Y56ICS757E
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Related reactions
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Compound notes
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