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Harman

CAT: 0926-FH23738-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-FH23738-01Size:1 g
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CAS Number
486-84-0
Synonyms
1-Methyl-9H-pyrido[3,4-b]indole;3-Methyl-4-carboline;2-Methyl-b-carboline
MDL Number
MFCD00004957
Smiles
CC1=NC=CC2=C1NC3=CC=CC=C23
Molecular Formula
C12H10N2
Molecular Weight
182.22 g/mol
Controlled
No

Chemical Information

Harman

Harman is an indole alkaloid fundamental parent with a structure of 9H-beta-carboline carrying a methyl substituent at C-1. It has been isolated from the bark of Sickingia rubra, Symplocus racemosa, Passiflora incarnata, Peganum harmala, Banisteriopsis caapi and Tribulus terrestris, as well as from tobacco smoke. It is a specific, reversible inhibitor of monoamine oxidase A. It has a role as an EC 1.4.3.4 (monoamine oxidase) inhibitor, an anti-HIV agent and a plant metabolite. It is an indole alkaloid fundamental parent, an indole alkaloid and a harmala alkaloid.

CAS Number486-84-0
PubChem CID5281404
IUPAC Name1-methyl-9H-pyrido[3,4-b]indole
Molecular FormulaC12H10N2
Molecular Weight182.22
XLogP3.6
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity216
SMILES
CC1=NC=CC2=C1NC3=CC=CC=C23
InChI
InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3
InChIKey
PSFDQSOCUJVVGF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Harman
CAS: 486-84-0
CID: 5281404
Formula: C12H10N2
MW: 182.22
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.22
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass182.084398327
Monoisotopic Mass182.084398327
Topological Polar Surface Area28.7 Ų
Heavy Atom Count14
Formal Charge0
Complexity216
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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TRC-H105000-5MGHarman
MBS6096912-01Harman-d3
M27979-01Harman hydrochloride
HY-W777360-01Harman-13C2,15N
H105003Harman-d3 (Major)
TRC-H896450-50MGHarman-3-carboxylic acid
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