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Cnidilin

CAT: 1410-M31372-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M31372-02Size:5 mg
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Description
Cnidilin is found in association with Angelica dahurica roots, has high BBB permeability and has pharmacokinetic potential in the treatment of CNS disorders.
CAS Number
14348-22-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
300.31
Molecular Formula
C17H16O5
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Cnidilin

Cnidilin is a member of psoralens.

CAS Number14348-22-2
PubChem CID821449
IUPAC Name9-methoxy-4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one
Molecular FormulaC17H16O5
Molecular Weight300.30
XLogP3.4
Topological Polar Surface Area57.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity479
SMILES
CC(=CCOC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC)C
InChI
InChI=1S/C17H16O5/c1-10(2)6-8-20-14-11-4-5-13(18)22-16(11)17(19-3)15-12(14)7-9-21-15/h4-7,9H,8H2,1-3H3
InChIKey
NNDOCYLWULORAM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cnidilin
CAS: 14348-22-2
CID: 821449
Formula: C17H16O5
MW: 300.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.30
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass300.09977361
Monoisotopic Mass300.09977361
Topological Polar Surface Area57.9 Ų
Heavy Atom Count22
Formal Charge0
Complexity479
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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