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78003-71-1

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Basic Information
CAS No.: 78003-71-1
Name: Sophocarpine
Molecular Structure:
Molecular Structure of 78003-71-1 (Sophocarpine)
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
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Chemistry

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

Toxicity Data With Reference

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.

Safety Profile

Poison by ingestion, intravenous, and intramuscular routes. When heated to decomposition it emits toxic fumes of NOx and Br−.

Specification

 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 .