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Substance Name: Harmaline hydrochloride dihydrate
RN: 6027-98-1
UNII: 5B4DGH2M9R
InChIKey: LCEKUHFBUFUSSY-UHFFFAOYSA-N

Molecular Formula

  • C13-H14-N2-O.Cl-H.2H2-O

Molecular Weight

  • 286.7571
 
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Names and Synonyms

Name of Substance

  • Harmaline hydrochloride dihydrate

Synonyms

  • CCRIS 7891
  • Harmaline hydrochloride dihydrate
  • UNII-5B4DGH2M9R

Systematic Names

  • Harmaline hydrochloride
  • Harmaline, hydrochloride, dihydrate

Registry Numbers

CAS Registry Number

  • 6027-98-1

FDA UNII

  • 5B4DGH2M9R

System Generated Number

  • 0006027981

Molecular Formulas

Molecular Formula

  • C13-H14-N2-O.Cl-H.2H2-O

Molecular Formula Fragments

  • C13-H14-N2-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C13H14N2O.ClH.2H2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;;;/h3-4,7,15H,5-6H2,1-2H3;1H;2*1H2

InChIKey

LCEKUHFBUFUSSY-UHFFFAOYSA-N

Smiles

CC1=NCCc2c1[nH]c3c2ccc(c3)OC.O.O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo subcutaneous 100mg/kg (100mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)
Transactions of the Royal Society of Edinburgh. Vol. 47, Pg. 245, 1909.
frog LDLo subcutaneous 250mg/kg (250mg/kg)   Transactions of the Royal Society of Edinburgh. Vol. 47, Pg. 245, 1909.
guinea pig LDLo subcutaneous 100mg/kg (100mg/kg)   Transactions of the Royal Society of Edinburgh. Vol. 47, Pg. 245, 1909.
rabbit LDLo subcutaneous 100mg/kg (100mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Transactions of the Royal Society of Edinburgh. Vol. 47, Pg. 245, 1909.
rat LDLo subcutaneous 120mg/kg (120mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)
Transactions of the Royal Society of Edinburgh. Vol. 47, Pg. 245, 1909.