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Basic information

  • Name:

  • 3H-Pyrido[3,4-b]indol-7-ol,4,9-dihydro-1-methyl-, hydrochloride (1:1)

  • CAS No.:

  • 6028-07-5

  • Formula:
  • C12H12 N2 O . Cl H
  • Synonyms:
  • 3H-Pyrido[3,4-b]indol-7-ol,4,9-dihydro-1-methyl-, monohydrochloride (8CI,9CI); Harmalol, hydrochloride(7CI); NSC 640461

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Chemistry

Product Name: Harmalol hydrochloride (CAS NO.6028-07-5)


Molecular Formula: C12H13ClN2O
Molecular Weight: 236.7g/mol
Mol File: 6028-07-5.mol
EINECS: 227-898-9
Melting Point: 265-268 °C (dec.)
Boiling point: 444.5 °C at 760 mmHg
Flash Point: 222.6 °C
Enthalpy of Vaporization: 72.94 kJ/mol
Vapour Pressure: 1.62E-08 mmHg at 25°C
H-Bond Donor: 3
H-Bond Acceptor: 3
Structure Descriptors of Harmalol hydrochloride (CAS NO.6028-07-5):
  IUPAC Name: 1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-7-one hydrochloride
  Canonical SMILES: CC1=C2C(=C3C=CC(=O)C=C3N2)CCN1.Cl
  InChI: InChI=1S/C12H12N2O.ClH/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12;/h2-3,6,13-14H,4-5H2,1H3;1H 
  InChIKey: LRNHCUPADIPJOY-UHFFFAOYSA-N
Product Categories: Indoles and derivatives

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo subcutaneous 250mg/kg (250mg/kg) BEHAVIORAL: REGIDITY

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION		 Quarterly Journal of Pharmacy & Pharmacology. Vol. 3, Pg. 218, 1930.
guinea pig LDLo subcutaneous 300mg/kg (300mg/kg)   Quarterly Journal of Pharmacy & Pharmacology. Vol. 3, Pg. 218, 1930.
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03207,
mouse LDLo intraperitoneal 230mg/kg (230mg/kg)   Quarterly Journal of Pharmacy & Pharmacology. Vol. 3, Pg. 218, 1930.
mouse LDLo subcutaneous 380mg/kg (380mg/kg)   Quarterly Journal of Pharmacy & Pharmacology. Vol. 3, Pg. 218, 1930.
rabbit LDLo subcutaneous 300mg/kg (300mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

CARDIAC: PULSE RATE

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION		 Quarterly Journal of Pharmacy & Pharmacology. Vol. 3, Pg. 218, 1930.

Safety Profile

Poison by subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx and HCl.

Specification

 Harmalol hydrochloride , its CAS NO. is 6028-07-5, the synonyms are 4,9-Dihydro-1-methyl-3H-pyrido(3,4-b)indol-7-ol
hydrochloride ; CCRIS 7892 ; EINECS 227-898-9 ; Harmalol HCl ; NSC 640461 ; 1-Methyl-3,4-dihydro-beta-carboline-7-ol hydrochloride (monohydrate) ; 3H-Pyrido(3,4-b)indol-7-ol, 4,9-dihydro-1-methyl-, monohydrochloride .

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