Hydrohydrastinine, hydrochloride
Basic information
- CAS
5985-04-6- Standard SMILES
C[NH+]1CCc2cc3c(cc2C1)OCO3.[Cl-]- InChIKey
VVTDRPAONFOQAE-UHFFFAOYSA-N- Molecular formula
- C11H14ClNO2
- Average molar mass
- 227.69 g/mol
- Monoisotopic mass
- 227.0713064
Overview
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Names & identifiers
- Preferred name
- Hydrohydrastinine, hydrochloride
- IUPAC
- 6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride
Names & synonyms
Hydrohydrastinine, hydrochlorideEINECS 227-802-5NSC 1130066-Methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline hydrochlorideUNII-9OAD694X77N-Methyl-6,7-methylenedioxy-1,2,3,4-tetrahydroisoquinoline, hydrochloride
Database identifiers
- CAS
5985-04-6- PubChem CID
- 22300
Properties
Computed structural properties
- Topological polar surface area
- 22.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 221
Related reactions
0 records
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Compound notes
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