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| CAS No.: | 64036-86-8 |
|---|---|
| Name: | LUNARINEHYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C25H31 N3 O4 . Cl H |
| Molecular Weight: | 492.07 |
| Synonyms: | 17,19-Etheno-22H-benzofuro[3a,3-n][1,5,10]triazacycloeicosine-3,14,22-trione,4,5,6,7,8,9,10,11,12,13,20a,21,23,24-tetradecahydro-, monohydrochloride,(1E,15E,20aR,24aS)- (9CI); Lunarine, monohydrochloride; Lunarine hydrochloride |
| Density: | g/cm3 |
| Boiling Point: | 761.1°Cat760mmHg |
| Flash Point: | 414.1°C |
| Safety: | Poison by intravenous route. When heated to decomposition it emits very toxic fumes of HCl and NOx. |
| PSA: | 100.02000 |
| LogP: | 3.37950 |
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Chemistry
Product Name: Lunarine hydrochloride
CAS Registry Number: 64036-86-8
Molecular Weight: 473.99228 [g/mol]
Molecular Formula: C25H32ClN3O4
H-Bond Donor: 4
H-Bond Acceptor: 6
Canonical SMILES: C1CC2C(=C3C=CC(=O)C=C3O2)CCC(=O)NCC4CC(C=C4)NCC(=O)CNCC=C1.Cl
Isomeric SMILES: C\1CC2C(=C3C=CC(=O)C=C3O2)CCC(=O)NCC4CC(C=C4)NCC(=O)CNC/C=C1.Cl
InChI: InChI=1S/C25H31N3O4.ClH/c29-19-7-8-22-21-9-10-25(31)28-14-17-5-6-18(12-17)27-16-20(30)15-26-11-3-1-2-4-23(21)32-24(22)13-19;/h1,3,5-8,13,17-18,23,26-27H,2,4,9-12,14-16H2,(H,28,31);1H/b3-1+;
InChIKey: IYJSPCVXBVFEHT-KSMVGCCESA-N
Flash Point: 414.1 °C
Enthalpy of Vaporization: 110.85 kJ/mol
Boiling Point: 761.1 °C at 760 mmHg
Vapour Pressure: 4.61E-23 mmHg at 25°C
Following is the molecular structure of Lunarine hydrochloride (CAS NO.64036-86-8) is:
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 62300ug/kg (62.3mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 39, Pg. 516, 1950. |
| rabbit | LDLo | intravenous | 70mg/kg (70mg/kg) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 39, Pg. 516, 1950. |
Safety Profile
Poison by intravenous route. When heated to decomposition it emits very toxic fumes of HCl and NOx.
Specification
Lunarine hydrochloride , its cas register number is 64036-86-8. It also can be called 22H-Benzofuro(3a,3-h)(1,5,10)triazacycloeicosine-3,14,22-trione, 4,5,6,7,8,9,10,11,12,13,20a,21,23,24-tetradecahydro-17,19-etheno-, hydrochloride .