Basic information
- CAS
1178-28-5- Standard SMILES
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@H](OC)[C@@H]1OC- InChIKey
FPGCYQVKNKEGRQ-SXLQGMKLSA-N- Molecular formula
- C24H32N2O5
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.23112213
Overview
RN given refers to parent cpd(3beta,16beta,17alpha,18alpha,20alpha)-isomer
Names & identifiers
- Preferred name
- Metoserpate
- IUPAC
- methyl (1R,15S,17S,18R,19S,20S)-6,17,18-trimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
- English name
- Metoserpate
- Molecular formula
- C24H32N2O5
- Molecular weight
- 428.52
Names & synonyms
METOSERPATE1178-28-5MetoserpatoMetoserpatumMethyl O-methyl-18-epireserpateX3G4L02XQUDTXSID00482662,3 alpha-11-trimethoxy-yohimban-1-carbonic acid methylesterRefChem:158393DTXCID5028241methyl (1R,15S,17S,18R,19S,20S)-6,17,18-trimethoxy-3,13-diazapentacyclo(11.8.0.0^(2,10).0^(4,9).0^(15,20))henicosa-2(10),4(9),5,7-tetraene-19-carboxylatemethyl (1R,15S,17S,18R,19S,20S)-6,17,18-trimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Show more names
SU9064SU-9064Reserpine Impurity 4Methyl O-Methyl-18-epireserp18-epi-O-Methylreserpic Acid Methyl EsterO-Methyl-18-epireserpic Acid Methyl Ester
SU 9064MepiserpateMethyl 6,17,18-trimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylateMethyl O-Methyl-18-epi-reserpateMetoserpate [INN:BAN]Metoserpatum [INN-Latin]UNII-X3G4L02XQUMetoserpato [INN-Spanish]
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 73 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 662
Physicochemical properties
- Melting point
- 241 · 241-244 °C (decomp)
- Boiling point
- 566.5 · 566.5±50.0 °C(Predicted)
- alpha
- 26 · D26 -37.5° (CHCl3)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 18.18 · 18.18±0.70(Predicted)
- color
- Off-White to Light Beige
- FDA 21 CFR
- 556.41 · 556.410
- FDA UNII
- 3 G4L02XQU · X3G4L02XQU
Chemistry & industry
Applications
UsesReserpine (R144600) derivative as a neuroleptic compound. Reserpine and SU 9064 prolonged the duration for the larva development and only SU 9064 had a mortal effect on larvae.
Suppliers8 total
凯试（上海）科技有限公司021-50135380 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
卡托研究化学公司+86-020-81960175-877 4000-868-328;4000-868-328 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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