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Cas Database |
| Name |
Aspidospermine |
EINECS | N/A |
| CAS No. | 466-49-9 | Density | 1.2g/cm3 |
| PSA | 32.78000 | LogP | 3.72930 |
| Solubility | 166.6mg/L(cold water) | Melting Point |
208° |
| Formula | C22H30N2O2 | Boiling Point | 542.8°Cat760mmHg |
| Molecular Weight | 354.492 | Flash Point | 282.1°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Acetyl-17-methoxy-aspidospermidin;Aspidospermidine, 1-acetyl-17-methoxy-;AC1L5FMA;TTTJ GO1 IV1 M2;1-Acetyl-17-methoxyaspidospermidine;Aspidospermin;WLN: T C6 B5665 2AB S BX IN QN JH&&Vincaminorine;ASPIDOSPERMINE;Aspidospermidine,1-acetyl-17-methoxy; |
Article Data | 11 |
Aspidospermine Chemical Properties
Product Name: Aspidospermine (CAS NO.466-49-9)
Molecular Formula: C22H30N2O2
Molecular Weight: 354.49g/mol
Mol File: 466-49-9.mol
Einecs: 207-376-7
Boiling point: 542.8 °C at 760 mmHg
Flash Point: 282.1 °C
Density: 1.2 g/cm3
Surface Tension: 52.4 dyne/cm
Enthalpy of Vaporization: 82.1 kJ/mol
Vapour Pressure: 7.63E-12 mmHg at 25°C
XLogP3-AA: 3.4
H-Bond Donor: 0
H-Bond Acceptor: 3
Structure Descriptors of Aspidospermine (CAS NO.466-49-9):
Canonical SMILES: CCC12CCCN3C1C4(CC3)C(CC2)N(C5=C4C=CC=C5OC)C(=O)C
Isomeric SMILES: CC[C@]12CCCN3[C@H]1[C@@]4(CC3)[C@@H](CC2)N(C5=C4C=CC=C5OC)C(=O)C
InChI: InChI=1S/C22H30N2O2/c1-4-21-10-6-13-23-14-12-22(20(21)23)16-7-5-8-17(26-3)19(16)24(15(2)25)18(22)9-11-21/h5,7-8,18,20H,4,6,9-14H2,1-3H3/t18-,20-,21-,22-/m1/s1
InChIKey: ARQOGCYMPUOVHK-ZHHKINOHSA-N
Aspidospermine Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 40mg/kg (40mg/kg) | National Technical Information Service. Vol. AD691-490, |
Aspidospermine Safety Profile
A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx.
Aspidospermine Specification
Aspidospermine ,its CAS NO. is 466-49-9,the synonyms is (-)-Aspidospermine ; 1-Acetyl-17-methoxyaspidospermidine ; 5-23-12-00210 (Beilstein Handbook Reference) ; BRN 0048882 ; EINECS 207-376-7 ; NSC 19508 ; Aspidospermidine, 1-acetyl-17-methoxy- (8CI,9CI) .
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