Basic information
- CAS
80243-94-3- Standard SMILES
COC(=O)c1c(C(=O)Cc2cc3c(cc2CCN(C)C)OCO3)ccc(OC)c1OC- InChIKey
BVNJWCFAMUHSNK-UHFFFAOYSA-N- Molecular formula
- C23H27NO7
- Average molar mass
- 429.5 g/mol
- Monoisotopic mass
- 429.1787522
Names & identifiers
- Preferred name
- Methylhydrasteine methyl ester
- IUPAC
- methyl 6-[2-[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoate
Names & synonyms
Methylhydrasteine methyl ester80243-94-3DTXSID10313996RefChem:357013DTXCID30265120NSC279523NSC-279523DS-001578Methyl 6-[2-[6-(2-dimethylaminoethyl)benzo[1,3]dioxol-5-yl]acetyl]-2,3-dimethoxy-benzoateMethyl 6-({6-[2-(dimethylamino)ethyl]-2H-1,3-benzodioxol-5-yl}acetyl)-2,3-dimethoxybenzoate
Database identifiers
- CAS
80243-94-3- PubChem CID
- 322367
- DTXSID
DTXSID10313996
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 613
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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