Product Name

  • Name

    CARBOMETHOXYIBOGAMINE HYDROCHLORIDE

  • EINECS
  • CAS No. 4503-12-2
  • Density
  • Solubility
  • Melting Point
  • Formula C21H26N2O2•ClH
  • Boiling Point
  • Molecular Weight 374.95
  • Flash Point
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion, intraperitoneal, and intravenous routes. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx and HCl.
  • Risk Codes
  • Molecular Structure Molecular Structure of 4503-12-2 (CARBOMETHOXYIBOGAMINE HYDROCHLORIDE)
  • 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;
  • PSA
  • LogP

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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