Basic information
- CAS
3735-84-0- Standard SMILES
COc1cc2[nH]c3c(c2cc1OC)CCN1C[C@H]2[C@H](C)OC=C(C(=O)OCCN(C)C)[C@H]2C[C@H]31.Cl.Cl- InChIKey
RDKIYVYHCBJDMF-DGCKWTARSA-N- Molecular formula
- C26H37Cl2N3O5
- Average molar mass
- 542.5 g/mol
- Monoisotopic mass
- 541.2110267
Overview
Dimethylaminoethyl reserpilinate dihydrochloride is a polymer.
Names & identifiers
- Preferred name
- Dimethylaminoethyl Reserpilinate Dihydrochloride
- IUPAC
- 2-(dimethylamino)ethyl (1R,15S,16S,20S)-6,7-dimethoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate;dihydrochloride
Names & synonyms
dimethylaminoethyl reserpilinate dihydrochloride3735-84-0PyratensiolResporisanUNII-D1301HM9JDD1301HM9JDDimethylaminoethyl reserpilinate dihydrochloride [JAN]Dimethylaminoethyl reserpilinate HClEINECS 223-102-9Reserpilic acid dimethylaminoethyl ester dihydrochlorideDIMETHYLAMINOETHYLRESERPILINATE HCLDIMETHYLAMINOETHYLRESERPILINATE HCL [WHO-DD]
Show more names
Dimethylaminoethyl reserpilinate dihydrochloride (JAN)RESERPILIC ACID DIMETHYLAMINOETHYL ESTER DIHYDROCHLORIDE [MI]DIMETHYLAMINOETHYL 16,17-DIDEHYDRO-10,11-DIMETHOXY-19.ALPHA.-METHYL-3.BETA.,20.ALPHA.-OXAYOHIMBAN-16-CARBOXYLATE DIHYDROCHLORIDEDimethylaminoethyl 16,17-didehydro-10,11-dimethoxy-19alpha-methyl-3beta,20alpha-oxayohimban-16-carboxylate dihydrochlorideRefChem:134307223-102-9Dimethylaminoethyl 16,17-Didehydro-10,11-Dimethoxy-19Alpha-Methyl-Beta,20Alpha-Oxayohimban-16-Carboxylate DihydrochlorideParatensiol
Database identifiers
- CAS
3735-84-0- PubChem CID
- 71463
- DTXSID
DTXSID30958464- ChEMBL
Properties
Computed structural properties
- Topological polar surface area
- 76.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 776
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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