Streptotriad
Basic information
- CAS
79028-52-7- Standard SMILES
CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(N)N)[C@@H](O)[C@@H]3N=C(N)N)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O.CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(N)N)[C@@H](O)[C@@H]3N=C(N)N)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O.Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1.Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-]- InChIKey
ZJNAOHDAWSUJGP-YHCNRSCCSA-H- Molecular formula
- C73H115N25O42S7-6
- Average molar mass
- 2,239.3 g/mol
- Monoisotopic mass
- 2,237.567641
Overview
combination of above used in prevention of diarrhea
Names & identifiers
- Preferred name
- Streptotriad
- IUPAC
- 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;4-amino-N-pyrimidin-2-ylbenzenesulfonamide;4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide;bis(2-[(1S,2R,3R,4S,5R,6R)-5-(diaminomethylamino)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-3,4,6-trihydroxycyclohexyl]guanidine);trisulfate
- English name
- Streptotriad
- Molecular formula
- C73H115N25O42S7-6
- Molecular weight
- 2239.2915
Names & synonyms
Streptotriad79028-52-7DTXSID80229510RefChem:185985DTXCID30152001D-Streptamine, O-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1-2)-O-5-deoxy-3-C-formyl-alpha-L-lyxofuranosyl-(1-4)-N,N'-bis(aminoiminomethyl)-, sulfate (2:3) (salt), mixt. with 4-amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide, 4-amino-N-D-Streptamine, O-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1-2)-O-5-deoxy-3-C-formyl-alpha-L-lyxofuranosyl-(1-4)-N,N'-bis(aminoiminomethyl)-, sulfate (2:3) (salt), mixt. with 4-amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide, 4-amino-N-2-pyrimidinylbenzenesulfonamide and 4-amino-N-2-thiazolylbenzenesulfonamide
Database identifiers
- CAS
79028-52-7- PubChem CID
- 174161
- DTXSID
DTXSID80229510
Properties
Computed structural properties
- Topological polar surface area
- 1,270 Ų
- Hydrogen bond donors
- 32
- Hydrogen bond acceptors
- 64
- Rotatable bonds
- 29
- Heavy atoms
- 147
- Formal charge
- -6
- Complexity
- 1,970
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Compound notes
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