Ethoxysanguinarine

CAT: 0607-BA2950-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA2950-1Size:1 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 Number	28342-31-6
PubChem CID	5317235
IUPAC Name	23-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 Formula	C22H19NO5
Molecular Weight	377.4
XLogP	4.5
Topological Polar Surface Area	49.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	28
Formal Charge	0
Complexity	589

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

CAS: 28342-31-6

CID: 5317235

Formula: C22H19NO5

MW: 377.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	377.4
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	377.12632271
Monoisotopic Mass	377.12632271
Topological Polar Surface Area	49.4 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	589
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GTR19153861	Ethoxysanguinarine