Danaden retard
Basic information
- CAS
76391-79-2- Standard SMILES
Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O.O=C(O)[C@H](O)[C@@H](O)C(=O)O.OCc1cccnc1- InChIKey
RAQWFNMBUPUYRM-CEAXSRTFSA-N- Molecular formula
- C26H33N3O11S2
- Average molar mass
- 627.7 g/mol
- Monoisotopic mass
- 627.15565122
Names & identifiers
- Preferred name
- Danaden retard
- IUPAC
- (2R,3R)-2,3-dihydroxybutanedioic acid;5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol;pyridin-3-ylmethanol
Names & synonyms
Danaden retard76391-79-2EP 50/1003-Pyridinemethanol, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1) (salt), mixt. with 3,3'-(dithiobis(methylene))bis(5-hydroxy-6-methyl-4-pyridinemethanol)
Database identifiers
- CAS
76391-79-2- PubChem CID
- 192077
Properties
Computed structural properties
- Topological polar surface area
- 305 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 11
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 545
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