Basic information
- CAS
40158-94-9- Standard SMILES
CC(C)[C@](O)(C(=O)OC[C@H]1CC[NH+]2CCCC12)[C@H](C)O.[Cl-]- InChIKey
MMWVLWGLCFSCGL-OIHCVRETSA-N- Molecular formula
- C15H28ClNO4
- Average molar mass
- 321.84 g/mol
- Monoisotopic mass
- 321.1706861
Names & identifiers
- Preferred name
- Cynaustraline hydrochloride
- IUPAC
- [(1S)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate chloride
Names & synonyms
Cynaustraline hydrochloride40158-94-9RefChem:1082800Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (hexahydro-1H-pyrrolizin-1-yl)methyl ester, hydrochloride, (1R-(1-alpha(2S*,3S*),7a-beta))-
Database identifiers
- CAS
40158-94-9- PubChem CID
- 38405
Properties
Computed structural properties
- Topological polar surface area
- 71.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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