Methylhydrastimide hydrochloride (1:1)
Basic information
- CAS
548-71-0- Standard SMILES
COc1ccc2c(c1OC)C(=O)NC2=Cc1cc2c(cc1CCN(C)C)OCO2.Cl- InChIKey
UGUBGMSQMCPJQE-UHFFFAOYSA-N- Molecular formula
- C22H25ClN2O5
- Average molar mass
- 432.9 g/mol
- Monoisotopic mass
- 432.1451996
Names & identifiers
- Preferred name
- Methylhydrastimide hydrochloride (1:1)
- IUPAC
- 3-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxyisoindol-1-one;hydrochloride
Names & synonyms
UGUBGMSQMCPJQE-UHFFFAOYSA-NDTXSID801365885Methylhydrastimide hydrochloride (1:1)NS00042895
Database identifiers
- CAS
548-71-0- PubChem CID
- 68357
- DTXSID
DTXSID801365885
Properties
Computed structural properties
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 624
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Related reactions
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Compound notes
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