1,3-O-Isopropylidene (R)-Albuterol (2S,3S)-Di-O-toluoyl Tartrate Salt
Basic information
- CAS
238762-33-9- Standard SMILES
CC(C)(C)NC[C@H](O)c1ccc2c(c1)COC(C)(C)O2.Cc1ccc(C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1- InChIKey
YLLMNTFLXQSSCQ-GCAOVTBYSA-N- Molecular formula
- C36H43NO11
- Average molar mass
- 665.7 g/mol
- Monoisotopic mass
- 665.28361119
Names & identifiers
- Preferred name
- 1,3-O-Isopropylidene (R)-Albuterol (2S,3S)-Di-O-toluoyl Tartrate Salt
- IUPAC
- (2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;(1R)-2-(tert-butylamino)-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol
- English name
- 1,3-O-Isopropylidene (R)-Albuterol (2S,3S)-Di-O-toluoyl Tartrate Salt
- Molecular formula
- C36H43NO11
- Molecular weight
- 665.72672
Names & synonyms
238762-33-91,3-O-Isopropylidene (R)-Albuterol (2S,3S)-Di-O-toluoyl Tartrate Salt(2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid;(1R)-2-(tert-butylamino)-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol(alphaR)-alpha-[[(1,1-Dimethylethyl)amino]methyl]-2,2-dimethyl-4H-1,3-benzodioxin-6-methanol (2S,3S)-2,3-Bis[(4-methylbenzoyl)oxy]butanedioate;DTXSID20857891(2R,3R)-2,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid--(1R)-2-(tert-butylamino)-1-(2,2-dimethyl-2H,4H-1,3-benzodioxin-6-yl)ethan-1-ol (1/1)(αR)-α-[[(1,1-DiMethylethyl)aMino]Methyl]-2,2-diMethyl-4H-1,3-benzodioxin-6-Methanol (2S,3S)-2,3-Bis[(4-Methylbenzoyl)oxy]butanedioate
Database identifiers
- CAS
238762-33-9- PubChem CID
- 71749596
- DTXSID
DTXSID20857891
Properties
Computed structural properties
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 13
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 857
Physicochemical properties
- Melting point
- 200 · 200-202oC
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Methanol (Slightly)
- form
- Solid
- color
- Off-White
Chemistry & industry
Applications
UsesProtected (R)-Albuterol
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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