Basic information
- CAS
6078-54-2- Standard SMILES
COc1c2c(cc3c1OCO3)CCN(C)C2.Cl.O- InChIKey
ZNQOHJRIIMHFDR-UHFFFAOYSA-N- Molecular formula
- C12H18ClNO4
- Average molar mass
- 275.73 g/mol
- Monoisotopic mass
- 275.0924357
Overview
See also: Hydrocotarnine (annotation moved to).
Names & identifiers
- Preferred name
- Hydrocotarnine hydrochloride
- IUPAC
- 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrate;hydrochloride
Names & synonyms
hydrocotarnine hydrochloride6078-54-24301VZ4T43DTXSID50209602RefChem:147059DTXCID60132093Hydrocotarnine hydrochloride hydrateUNII-4301VZ4T43Hydrocotarnine hydrochloride [JAN]hydrocotarnine hydrochloride monohydrate1,3-Dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-4-methoxy-6-methyl-, hydrochloride, monohydrate5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinoline hydrochloride hydrate
Show more names
CHEMBL21072894-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrate;hydrochlorideHydrocotarnine hydrochloride hydrate (JP17)D02031HYDROCOTARNINE HYDROCHLORIDE HYDRATE [JAN]HYDROCOTARNINE HYDROCHLORIDE MONOHYDRATE [MI]Q27258585HYDROCOTARNINE HYDROCHLORIDE MONOHYDRATE [WHO-DD]
Database identifiers
- CAS
6078-54-2- PubChem CID
- 11070
- DTXSID
DTXSID50209602- ChEMBL
CHEMBL2107289- UNII
- 4301VZ4T43
Properties
Computed structural properties
- Topological polar surface area
- 31.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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