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| Name |
Pifarnine methanesulfonate |
EINECS | N/A |
| CAS No. | 102517-11-3 | Density | N/A |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C27 H40 N2 O2 . x C H4 O3 S | Boiling Point | N/A |
| Molecular Weight | 1097.46 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
U 27 methanesulfonate;Pifazine methanesulfonate;1-Piperonyl-4-(3,7,11-trimethyl-2,6,10-dodecantrienyl)-piperazine methanesulfonate;Piperazine, 1-piperonyl-4-(3,7,11-trimethyl-2,6,10-dodecantrienyl)-, methanesulfonate (salt); |
Pifarnine methanesulfonate Chemical Properties
IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine; methanesulfonic acid
H-Bond Donor: 1
H-Bond Acceptor: 7
Rotatable Bond Count: 10
Exact Mass: 520.297093
MonoIsotopic Mass: 520.297093
Topological Polar Surface Area: 79.3
Heavy Atom Count: 36
Formal Charge: 0
Complexity: 720
Canonical SMILES: CC(=CCCC(=CCCC(=CCN1CCN(CC1)CC2=CC3=C(C=C2)OCO3)C)C)C.CS(=O)(=O)O
Isomeric SMILES: CC(=CCC/C(=C/CC/C(=C/CN1CCN(CC1)CC2=CC3=C(C=C2)OCO3)/C)/C)C.CS(=O)(=O)O
InChI: InChI=1S/C27H40N2O2.CH4O3S/c1-22(2)7-5-8-23(3)9-6-10-24(4)13-14-28-15-17-29(18-16-28)20-25-11-12-26-27(19-25)31-21-30-26;1-5(2,3)4/h7,9,11-13,19H,5-6,8,10,14-18,20-21H2,1-4H3;1H3,(H,2,3,4)/b23-9+,24-13+;
InChIKey: HSJWPJDJVJYZNT-MLPTUPEHSA-N
Structure of Pifarnine methanesulfonate (CAS NO.102517-11-3):
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Pifarnine methanesulfonate Toxicity Data With Reference
| 1. | ivn-rat LD50:33,300 µg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 25 (1975),580. | ||
| 2. | orl-dog LD50:1 g/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 25 (1975),580. | ||
| 3. | orl-mus LD50:2175 mg/kg | DRFUD4 Drugs of the Future. 1 (1976),354. | ||
| 4. | orl-rat LD50:2610 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 25 (1975),580. | ||
| 5. | orl-rbt LD50:1 g/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 25 (1975),580. | ||
| 6. | ivn-mus LD50:40,600 µg/kg | DRFUD4 Drugs of the Future. 1 (1976),354. |
Pifarnine methanesulfonate Safety Profile
Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of SOx and NOx.
Pifarnine methanesulfonate Specification
Pifarnine methanesulfonate , its cas register number is 102517-11-3. It also can be called 1-Piperonyl-4-(3,7,11-trimethyl-2,6,10-dodecantrienyl)-piperazine methanesulfonate ; Pifazine methanesulfonate ; U 27 methanesulfonate . Pifarnine methanesulfonate (CAS NO.102517-11-3) is moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of SOx and NOx.
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