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Cas Database |
| Name |
Deserpidine |
EINECS | 205-004-8 |
| CAS No. | 131-01-1 | Density | 1.32 g/cm3 |
| PSA | 108.55000 | LogP | 4.10040 |
| Solubility | N/A | Melting Point |
~275°C (dec.)(lit.) |
| Formula | C32H38 N2 O8 | Boiling Point | 676.1 °C at 760 mmHg |
| Molecular Weight | 578.662 | Flash Point | 362.7 °C |
| Transport Information | N/A | Appearance | white crystal powder |
| Safety | Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion. Experimental reproductive effects. Questionable human carcinogen producing skin tumors. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3b,20a-Yohimban-16b-carboxylic acid, 18b-hydroxy-17a-methoxy-, methyl ester, 3,4,5-trimethoxybenzoate(ester) (8CI); Deserpidic acid, methyl ester, 3,4,5-trimethoxybenzoate (6CI);Deserpidine (7CI); Benz[g]indolo[2,3-a]quinolizine, yohimban-16-carboxylic acidderiv.; 11-Demethoxyreserpine; 11-Desmethoxyreserpine; Canescin; Canescine;Canescine (Rauwolfia); Deserpic acid, methyl ester, 3,4,5-trimethoxybenzoate;Deserpidin; Harmonyl; NSC 72138; Raunormin; Raunormine; Recanescin;Recanescine; Reserpidine |
Article Data | 18 |
Deserpidine Synthetic route
| Conditions | Yield |
|---|---|
| With pyridine In benzene at 5℃; for 120h; | 91% |
| With pyridine In benzene at 5℃; for 120h; | 91% |
| With pyridine In benzene at 5℃; for 120h; | 91% |
| Conditions | Yield |
|---|---|
| ueber 7 Stufen; |
| Conditions | Yield |
|---|---|
| With pyridine |
| Conditions | Yield |
|---|---|
| With tetrahydrofuran; lithium aluminium tetrahydride |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: LiAlH4; THF 2: KOH; diethylene glycol / 200 °C View Scheme |
Deserpidine Chemical Properties
Molecular Formula: C32H38N2O8
Molar mass: 578.6527 g/mol
EINECS: 205-004-8
Density: 1.32 g/cm3
Flash Point: 362.7 °C
Index of Refraction: 1.625
Boiling Point: 676.1 °C at 760 mmHg
Vapour Pressure: 3.87E-18 mmHg at 25°C
Structure of Deserpidine (131-01-1):
XLogP3-AA: 4.1
H-Bond Donor: 1
H-Bond Acceptor: 9
SMILES: O=C(OC)[C@H]6[C@H]4C[C@@H]3c2nc1ccccc1c2CCN3C[C@H]4C[C@@H](OC(=O)c5cc(OC)c(OC)c(OC)c5)[C@@H]6OC
InChI: InChI=1/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3/t18-,21+,23-,26-,27+,30+/m1/s1
InChIKey: CVBMAZKKCSYWQR-WCGOZPBSBL
Std. InChI: InChI=1S/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3/t18-,21+,23-,26-,27+,30+/m1/s1
Std. InChIKey: CVBMAZKKCSYWQR-WCGOZPBSSA-N
Deserpidine Toxicity Data With Reference
| 1. | ivn-rat LD50:15 mg/kg | 27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,1972,104. | ||
| 2. | orl-mus LD50:500 mg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 44 (1955),688. | ||
| 3. | ipr-mus LD50:60 mg/kg | JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 44 (1955),688. |
Deserpidine Safety Profile
Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion. Experimental reproductive effects. Questionable human carcinogen producing skin tumors. When heated to decomposition it emits toxic fumes of NOx.
Deserpidine Specification
Deserpidine (131-01-1) also can be called Methyl 17alpha-methoxy-18beta-((3,4,5-trimethoxybenzoyl)oxy)-3beta,20alpha-yohimban-16beta-carboxylate and 3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 18-beta-hydroxy-17-alpha-methoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester) .
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