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| CAS No.: | 35080-11-6 |
|---|---|
| Name: | Prajmaline |
| Molecular Structure: | |
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| Formula: | C23H33 N2 O2 |
| Molecular Weight: | 369.527 |
| Synonyms: | 5H-6,10:11,12a-Dimethanoindolo[3,2-b]quinolizine,ajmalanium deriv.; 17R,21a-Dihydroxy-4-propylajmalanium; N-Propylajmaline; N-Propylajmalinium;N4-Propylajalmalinium; N4-Propylajmalinium; Prajmaline; Prajmalium |
| Density: | g/cm3 |
| Boiling Point: | °Cat760mmHg |
| Flash Point: | °C |
| Safety: | Poison by ingestion and intravenous routes. When heated to decomposition it emits toxic fumes of NOx. See also other ajmalines. |
| PSA: | 43.70000 |
| LogP: | 2.50310 |
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Chemistry
Product Name: Prajmalium (CAS NO.35080-11-6)
Molecular Formula: C23H33N2O2
Molecular Weight: 369.58g/mol
Mol File: 35080-11-6.mol
XLogP3-AA: 2.7
H-Bond Donor: 2
H-Bond Acceptor: 3
Structure Descriptors of Prajmalium (CAS NO.35080-11-6):
Canonical SMILES: CCC[N+]12C3CC(C(C1O)CC)C4C2CC5(C3N(C6=CC=CC=C65)C)C4O
Isomeric SMILES: CCC[N+]12[C@@H]3C[C@@H]([C@@H]([C@H]1O)CC)C4[C@H]2C[C@]5([C@H]3N(C6=CC=CC=C65)C)[C@H]4O
InChI: InChI=1S/C23H33N2O2/c1-4-10-25-17-11-14(13(5-2)22(25)27)19-18(25)12-23(21(19)26)15-8-6-7-9-16(15)24(3)20(17)23/h6-9,13-14,17-22,26-27H,4-5,10-12H2,1-3H3/q+1/t13-,14-,17+,18+,19?,20-,21-,22+,23-,25?/m0/s1
InChIKey: UAUHEPXILIZYCU-FKWBDHECSA-N
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 3400ug/kg (3.4mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA | Chemical and Pharmaceutical Bulletin. Vol. 22, Pg. 2329, 1974. |
| mouse | LD50 | oral | 65500ug/kg (65.5mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA | Chemical and Pharmaceutical Bulletin. Vol. 22, Pg. 2329, 1974. |
| rat | LD50 | intravenous | 1400ug/kg (1.4mg/kg) | CARDIAC: OTHER CHANGES | Pharmazie. Vol. 31, Pg. 36, 1976. |
Safety Profile
Poison by ingestion and intravenous routes. When heated to decomposition it emits toxic fumes of NOx. See also other ajmalines.
Specification
Prajmalium , its CAS NO. is 35080-11-6, the synonyms are (17R,21-alpha)-17,21-Dihydroxy-4-propylajmalanium ; N(sup 4)-Propylajmalinium ; N-Propylajmaline ; N-Propylajmalinium ; Prajmaline ; Ajmalanium, 17,21-dihydroxy-4-propyl-, (17R,21-alpha)- .