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Harmol

CAT: 0607-BA8506-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8506-25Size:25 mg
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CAS Number
487-03-6
Form
A solid
Molecular Formula
C12H10N2O
Molecular Weight
198.22
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Harmol

Harmol is a 9H-beta-carboline carrying a methyl substituent at C-1 and a hydroxy group at C-7; major microspecies at pH 7.3. It has a role as an autophagy inducer, an antifungal agent and an apoptosis inducer. It is an indole alkaloid and a harmala alkaloid. It is functionally related to a beta-carboline.

CAS Number487-03-6
PubChem CID68094
IUPAC Name1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one
Molecular FormulaC12H10N2O
Molecular Weight198.22
XLogP0.7
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity516
SMILES
CC1=C2C(=C3C=CC(=O)C=C3N2)C=CN1
InChI
InChI=1S/C12H10N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-6,13-14H,1H3
InChIKey
LBBJNGFCXDOYMQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Harmol
CAS: 487-03-6
CID: 68094
Formula: C12H10N2O
MW: 198.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.22
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass198.079312947
Monoisotopic Mass198.079312947
Topological Polar Surface Area41.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity516
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

Alternative Products

CatalogName
164367Harmol
TRC-H105263-2.5GHarmol Hydrochloride
HY-107811AHarmol (hydrochloride)
HY-107811R-01Harmol (Standard)
AR-H07797-01Harmol HCl
H-1313-01Harmol hydrochloride dihydrate
H-1312-01Harmol hydrochloride monohydrate

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