Basic information
- CAS
5585-67-1- 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- InChIKey
GKMCARMHFZCZDR-MNNBHYOVSA-N- Molecular formula
- C26H35N3O5
- Average molar mass
- 469.6 g/mol
- Monoisotopic mass
- 469.25767123
Names & identifiers
- Preferred name
- Dimethylaminoethyl reserpilinate
- 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
- English name
- Antipressine
- Molecular formula
- C26H35N3O5
- Molecular weight
- 469.57
Names & synonyms
Dimethylaminoethyl Reserpilinate5585-67-1AntipressineUNII-T82CYV41KXT82CYV41KXReserpilinic acid, 2-(dimethylamino)ethyl esterDEANOL RESERPILINATEReserpilinate dimethylaminoethylDEANOL RESERPILINATE [WHO-DD]2-(DIMETHYLAMINO)ETHYL RESERPINILATEReserpilin-24-oic acid, 2-(dimethylamino)ethyl ester, dihydrochlorideOxayohimban-16-carboxylic acid, 16,17-didehydro-10,11-dimethoxy-19-methyl-, 2-(dimethylamino)ethyl ester, (3.beta.,19.alpha.,20.alpha.)-
Show more names
AntipressinDimethylaminoethylreserpilatReserpilinic acid 2-(dimethylamino)ethylReserpilinic acid, 2-(dimethylamino)ethyl ester (6CI, 7CI)Reserpilin-24-oic acid, 2-(dimethylamino)ethyl ester (8CI)(3β,20α)-16,17-Didehydro-10,11-dimethoxy-19α-methyl-18-oxayohimban-16-carboxylic acid 2-(dimethylamino)ethyl ester(3β,19α,20α)-16,17-Didehydro-10,11-dimethoxy-19-methyl-18-oxayohimban-16-carboxylic acid 2-(dimethylamino)ethyl ester
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 76.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 776
Physicochemical properties
- Boiling point
- 571.38 °C · 571.38°C (rough estimate)
- Density
- 1.1931 · 1.1931 (rough estimate)
- refractive index
- 1.712 · 1.7120 (estimate)
- FDA UNII
- 82 CYV41KX · T82CYV41KX
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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