Basic information
- Standard SMILES
CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1.[N-]=[N+]=NCCC(=O)[O-]- InChIKey
UAHIIDLXLZSVLR-NTISSMGPSA-M- Molecular formula
- C22H29N4O3S-
- Average molar mass
- 429.6 g/mol
Names & identifiers
- Preferred name
- Rotigotine 3-Azidopropionate
- IUPAC
- 3-azidopropanoate;(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
Names & synonyms
Rotigotine 3-AzidopropionateUAHIIDLXLZSVLR-NTISSMGPSA-M
Database identifiers
- PubChem CID
- 86689412
Properties
Computed structural properties
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- -1
- Complexity
- 458
Related reactions
2 records
Compound notes
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