8-Oxocoptisine 1mg

CAT: 0628-A22711-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0628-A22711-1Size:1 mg

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CAS Number

19716-61-1

Chemical Information

8-Oxocoptisine

8-Oxocoptisine has been reported in Corydalis ternata, Corydalis yanhusuo, and other organisms with data available.

CAS Number	19716-61-1
PubChem CID	5245667
IUPAC Name	5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(24),2,4(8),9,15(23),16(20),21-heptaen-14-one
Molecular Formula	C19H13NO5
Molecular Weight	335.3
XLogP	2.8
Topological Polar Surface Area	57.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	25
Formal Charge	0
Complexity	621

SMILES

C1CN2C(=CC3=C(C2=O)C4=C(C=C3)OCO4)C5=CC6=C(C=C51)OCO6

InChI

InChI=1S/C19H13NO5/c21-19-17-11(1-2-14-18(17)25-9-22-14)5-13-12-7-16-15(23-8-24-16)6-10(12)3-4-20(13)19/h1-2,5-7H,3-4,8-9H2

InChIKey

UCAFJBSQKXVPDX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19716-61-1

CID: 5245667

Formula: C19H13NO5

MW: 335.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	335.3
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	335.07937252
Monoisotopic Mass	335.07937252
Topological Polar Surface Area	57.2 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	621
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes