Basic information
- CAS
5964-64-7- Standard SMILES
COc1c2c(cc3c1OCO3)CCN(C)C2.COc1c2c(cc3c1OCO3)CCN(C)C2.O- InChIKey
MJPRJAHJMAMYHA-UHFFFAOYSA-N- Molecular formula
- C24H32N2O7
- Average molar mass
- 460.5 g/mol
- Monoisotopic mass
- 460.22095136
Names & identifiers
- Preferred name
- Hydrocotarnine hemihydrate
- IUPAC
- bis(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline);hydrate
Names & synonyms
Hydrocotarnine hemihydrateUNII-881P3SN1OD881P3SN1OD5964-64-75,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinoline hemihydrate8-Methoxy-5,6-methylenedioxy-2-methyl-1,2,3,4-tetrahydroisoquinoline hemihydrate1,3-Dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-4-methoxy-6-methyl-, hydrate (2:1)DTXSID60208303HYDROCOTARNINE HEMIHYDRATE [MI]RefChem:147056DTXCID40130794Q27269875
Show more names
4-Methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinoline--water (2/1)
Database identifiers
- CAS
5964-64-7- PubChem CID
- 71586830
- DTXSID
DTXSID60208303- UNII
- 881P3SN1OD
Properties
Computed structural properties
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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