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Ethoxysanguinarine

CAT: 0607-BA2950-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-BA2950-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
28342-31-6
Form
A solid
Molecular Formula
C22H19NO5
Molecular Weight
377.39
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

14-Ethoxy-13-methyl-13,14-dihydro-(1,3)dioxolo(4',5':4,5)benzo(1,2-c)(1,3)dioxolo(4,5-i)phenanthridine
CAS Number28342-31-6
PubChem CID5317235
IUPAC Name23-ethoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaene
Molecular FormulaC22H19NO5
Molecular Weight377.4
XLogP4.5
Topological Polar Surface Area49.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count28
Formal Charge0
Complexity589
SMILES
CCOC1C2=C(C=CC3=C2OCO3)C4=C(N1C)C5=CC6=C(C=C5C=C4)OCO6
InChI
InChI=1S/C22H19NO5/c1-3-24-22-19-13(6-7-16-21(19)28-11-25-16)14-5-4-12-8-17-18(27-10-26-17)9-15(12)20(14)23(22)2/h4-9,22H,3,10-11H2,1-2H3
InChIKey
FCEXWTOTHXCQCQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 14-Ethoxy-13-methyl-13,14-dihydro-(1,3)dioxolo(4',5':4,5)benzo(1,2-c)(1,3)dioxolo(4,5-i)phenanthridine
CAS: 28342-31-6
CID: 5317235
Formula: C22H19NO5
MW: 377.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight377.4
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass377.12632271
Monoisotopic Mass377.12632271
Topological Polar Surface Area49.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity589
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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