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Harmol

Harmol structure

CAS No:
487-03-6
Formula:
C12H10N2O
Chemical Name:
Harmol
Synonyms:
9H-Pyrido[3,4-b]indol-7-ol,1-methyl-;Harmol;1-Methyl-9H-pyrido[3,4-b]indol-7-ol;NSC 72292;50674-97-0
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one is a harmala alkaloid.

Harmol Basic Attributes

Molecular Weight：

198.225

Exact Mass：

198.22

EC Number：

207-645-9

UNII：

7PQ075MCA6

NSC Number：

72292

HScode：

2933990090

Characteristics

PSA：

41.1

XLogP3：

2.73010

Density：

1.33g/cm3

Melting Point：

304-307 °C

Boiling Point：

552.7ºC at 760mmHg

Flash Point：

255ºC

Refractive Index：

1.794

Safety Information

hazard class code：

20/21/22

safety instructions：

Marks：

Drug Information

Metabolism/Metabolites：

6-Hydroxyharmaline has known human metabolites that include Harmol glucuronide and Harmol sulfate.

MeSH Entry Terms：

harmol

Computed Properties

Molecular Weight:198.22
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Exact Mass:198.079312947
Monoisotopic Mass:198.079312947
Topological Polar Surface Area:41.1
Heavy Atom Count:15
Complexity:516
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes