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CAS No.: | 78003-71-1 |
---|---|
Name: | Sophocarpine |
Molecular Structure: | |
Formula: | C15H22 N2 O . Br H |
Molecular Weight: | 327.31 |
Synonyms: | 1H,5H,10H-Dipyrido[2,1-f:3',2',1'-ij][1,6]naphthyridine,matridin-15-one deriv.; Sophocarpine hydrobromide |
Boiling Point: | 425.4°C at 760 mmHg |
Flash Point: | 194°C |
Safety: | Poison by ingestion, intravenous, and intramuscular routes. When heated to decomposition it emits toxic fumes of NOx and Br−. |
PSA: | 23.55000 |
LogP: | 2.48160 |
Empirical Formula of Sophocarpine (CAS NO.78003-71-1): C15H23BrN2O
Molecular Weight of Sophocarpine (CAS NO.78003-71-1): 327.2599
Flash Point: 194 °C
Enthalpy of Vaporization: 68 kJ/mol
Boiling Point: 425.4 °C at 760 mmHg
Vapour Pressure: 1.92E-07 mmHg at 25°C
Structure of Sophocarpine (CAS NO.78003-71-1):
H-Bond Donor: 0
H-Bond Acceptor: 2
Canonical SMILES: C1CC2CN3C(CC=CC3=O)C4C2N(C1)CCC4.Br
Isomeric SMILES: C1C[C@H]2CN3[C@H](CC=CC3=O)[C@@H]4[C@H]2N(C1)CCC4.Br
InChI: InChI=1S/C15H22N2O.BrH/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14;/h1,7,11-13,15H,2-6,8-10H2;1H/t11-,12+,13+,15-;/m0./s1
InChIKey: NBBQEIQEBNYSFK-PUILLJIJSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intramuscular | 101mg/kg (101mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 11, Pg. 555, 1980. |
mouse | LD50 | intravenous | 73640ug/kg (73.64mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 11, Pg. 555, 1980. |
mouse | LD50 | oral | 298mg/kg (298mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 11, Pg. 555, 1980. |
Poison by ingestion, intravenous, and intramuscular routes. When heated to decomposition it emits toxic fumes of NOx and Br−.
Sophocarpine ,its cas register number is 78003-71-1. It also can be called Matridin-15-one, 13,14-didehydro-, monohydrobromide and 13,14-Didehydromatridin-15-one hydrobromide .