Malun 25
Basic information
- CAS
79682-28-3- Standard SMILES
CCCCCCCCCCCCOS(=O)(=O)[O-].C[C@]12CCC3c4ccc(OC(=O)c5ccccc5)cc4CCC3C1CC[C@@H]2O.O=C([O-])c1ccc(S(=O)(=O)NCl)cc1.O=C[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO.[Na+].[Na+].[Na+]- InChIKey
SKOJJEYCGIQJRJ-YLSWJHHBSA-N- Molecular formula
- C56H80ClNNa3O22S2+
- Average molar mass
- 1,287.8 g/mol
- Monoisotopic mass
- 1,286.3995011
Overview
used in treatment of vaginitis; each tablet contains disodium monalazon (4-(N-chlorsalfamoyl)benzoate) 10.00 mg, estradiol benzoate 1.25 mg, sodium lauryl sulfate 4.00 mg, lactose 510.00 mg
Names & identifiers
- Preferred name
- Malun 25
- IUPAC
- trisodium;4-(chlorosulfamoyl)benzoate;dodecyl sulfate;[(13S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate;(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
- English name
- Malun 25
- Molecular formula
- C56H84ClNNa2O22S2
- Molecular weight
- 1268.82
Names & synonyms
Malun 25Malun-2579682-28-3RefChem:155499D-Glucose, 4-O beta-D-galactopyranosyl-, mixt. with 4-((chloroamino)sulfonyl)benzoic acid disodium salt, (17 beta)-17-hydroxyestra-1,3,5(10)-trien-3-yl benzoate and sodium dodecyl sulfatetrisodium;4-(chlorosulfamoyl)benzoate;dodecyl sulfate;[(13S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate;(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanalD-Glucose, 4-Obeta-D-galactopyranosyl-, mixt. with 4-((chloroamino)sulfonyl)benzoic acid disodium salt, (17beta)-17-hydroxyestra-1,3,5(10)-trien-3-yl benzoate and sodium dodecyl sulfate
Database identifiers
- CAS
79682-28-3- PubChem CID
- 196133
Properties
Computed structural properties
- Topological polar surface area
- 413 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 23
- Rotatable bonds
- 24
- Heavy atoms
- 85
- Formal charge
- 1
- Complexity
- 1,480
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