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Bergapten

CAT: 1410-M14621-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M14621-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
5-Methoxypsoralen, a naturally occurring linear furocoumarin, has been successfully used in combination with ultraviolet (UV) A irradiation [psoralen plus UV (PUVA) ] to manage psoriasis and vitiligo.
CAS Number
484-20-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
216.19
Molecular Formula
C12H8O4
Notes
Research use only, not for human use.
Receptor
CYP

Chemical Information

Bergapten

5-Methoxypsoralen with ultraviolet A therapy can cause cancer according to an independent committee of scientific and health experts.

CAS Number484-20-8
PubChem CID2355
IUPAC Name4-methoxyfuro[3,2-g]chromen-7-one
Molecular FormulaC12H8O4
Molecular Weight216.19
XLogP2.3
Topological Polar Surface Area48.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity325
SMILES
COC1=C2C=CC(=O)OC2=CC3=C1C=CO3
InChI
InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3
InChIKey
BGEBZHIAGXMEMV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bergapten
CAS: 484-20-8
CID: 2355
Formula: C12H8O4
MW: 216.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.19
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass216.04225873
Monoisotopic Mass216.04225873
Topological Polar Surface Area48.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity325
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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