Basic information
- CAS
14358-43-1- Standard SMILES
CCC1=C(CC2NCCc3cc(OC)c(OC)cc32)CC2c3cc(OC)c(OC)cc3CCN2C1- InChIKey
XXLZPUYGHQWHRN-UHFFFAOYSA-N- Molecular formula
- C29H38N2O4
- Average molar mass
- 478.6 g/mol
- Monoisotopic mass
- 478.2831577
Names & identifiers
- Preferred name
- Emetine, dehydro-
- IUPAC
- 2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizine
Names & synonyms
Emetine, dehydro-2,3-DehydroemetineEmetine, 2,3-didehydro-DihydroemetineEmetine, 2,3-dehydro-, (-)-Ro 1-9334Ro 1-9334/20Emetan, 2,3-didehydro-6',7',10,11-tetramethoxy-2,3-Didehydroemetine dihydrochloride (.+-.)-CHEMBL547470SCHEMBL13912590XXLZPUYGHQWHRN-UHFFFAOYSA-N
Show more names
2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizine6',7',10,11-Tetramethoxy-2,3-didehydroemetan #Emetan, 2,3-didehydro-6',7',10,11-tetramethoxy-, dihydrochloride, (.+-.)-
Database identifiers
- CAS
14358-43-1- PubChem CID
- 17558
- ChEMBL
CHEMBL547470
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 52.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 744
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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