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Name	Coronaridine hydrochloride	EINECS	N/A
CAS No.	4503-12-2	Density	N/A
PSA	N/A	LogP	N/A
Solubility	N/A	Melting Point	N/A
Formula	C21H26N2O2•ClH	Boiling Point	N/A
Molecular Weight	374.95	Flash Point	N/A
Transport Information	N/A	Appearance	N/A
Safety	Moderately toxic by ingestion, intraperitoneal, and intravenous routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NO_x and HCl.	Risk Codes	N/A
Molecular Structure		Hazard Symbols
Synonyms	6,9-METHANO-8H-PYRIDO(1′,2′:1,2)AZEPINO(4,5-b)INDOLE-6(6aH)-CARBOXYLIC ACID, 7,8,9,10,12,13- HEXAHYDRO-6-ETHYL-13a-HYDROXY-, METHYL ESTER, HYDROCHLORIDE;(?)-CORONARIDINE MONOHYDROCHLORIDE;IBOGAMINE-18-CARBOXYLIC ACID, METHYL ESTER, HYDROCHLORIDE;

Coronaridine hydrochloride Specification

Coronaridine hydrochloride(CAS NO.4503-12-2) is also named as (-)-Coronaridine monohydrochloride; Ibogamine-18-carboxylic acid, methyl ester, hydrochloride; 6,9-Methano-8H-pyrido(1',2':1,2)azepino(4,5-b)indole-6(6ah)-carboxylic acid, 7,8,9,10,12,13-hexahydro-6-ethyl-13a-hydroxy-, methyl ester, hydrochloride; Ibogamine-18-carboxylic acid, methyl ester, monohydrochloride (9CI). The Molecular Weight is390.90368 g/mol and the Molecular Formula is C₂₁H₂₇ClN₂O₃

Physical properties about Coronaridine hydrochloride are: (1)ACD/LogP: 3.436; (2)#H bond acceptors: 5; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 4; (5)Flash Point: 274.4 °C; (6)Enthalpy of Vaporization: 84.77 kJ/mol; (7)Boiling Point: 530.1 °C at 760 mmHg ; (8)Vapour Pressure: 4.55E-12 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)InChI=1S/C21H26N2O3.ClH/c1-3-12-10-13-11-21(20(25)26-2)17-15(8-9-23(18(12)21)19(13)24)14-6-4-5-7-16(14)22-17;/h4-7,12-13,18-19,22,24H,3,8-11H2,1-2H3;1H/t12-,13+,18-,19?,21+;/m0./s1;
(2)InChIKey InChIKey=AJIYIDKEZBBKQG-FKTXENOYSA-N;
(3)SmilesC1Cc2c3ccccc3[nH]c2[C@@]2([C@@H]3[C@H](C[C@@H](C2)[C@@H]([N@]13)O)CC)C(=O)OC.Cl

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LDLo	intraperitoneal	20mg/kg (20mg/kg)	BEHAVIORAL: ATAXIA GASTROINTESTINAL: NAUSEA OR VOMITING	Journal of Pharmaceutical Sciences. Vol. 52, Pg. 598, 1963.
cat	LDLo	intravenous	10mg/kg (10mg/kg)	LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION	Journal of Pharmaceutical Sciences. Vol. 52, Pg. 598, 1963.
mouse	LDLo	oral	500mg/kg (500mg/kg)	LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)	Journal of Pharmaceutical Sciences. Vol. 52, Pg. 598, 1963.

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