Oxychelerythrine

CAT: 0926-DBA34233-01Size: 1 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-DBA34233-01Size:1 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

28342-33-8

MDL Number

MFCD01732076

Smiles

CN1C2=C (C=CC3=CC4=C (C=C32) OCO4) C5=C (C1=O) C (=C (C=C5) OC) OC

Molecular Formula

C21H17NO5

Molecular Weight

363.4 g/mol

Controlled

Chemical Information

Oxychelerythrine

6-Oxochelerythrine is a benzophenanthridine alkaloid.

CAS Number	28342-33-8
PubChem CID	147279
IUPAC Name	1,2-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-13-one
Molecular Formula	C21H17NO5
Molecular Weight	363.4
XLogP	3.6
Topological Polar Surface Area	57.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	27
Formal Charge	0
Complexity	585

SMILES

CN1C2=C(C=CC3=CC4=C(C=C32)OCO4)C5=C(C1=O)C(=C(C=C5)OC)OC

InChI

InChI=1S/C21H17NO5/c1-22-19-13(5-4-11-8-16-17(9-14(11)19)27-10-26-16)12-6-7-15(24-2)20(25-3)18(12)21(22)23/h4-9H,10H2,1-3H3

InChIKey

IHTXRYTWDARUKX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 28342-33-8

CID: 147279

Formula: C21H17NO5

MW: 363.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	363.4
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	363.11067264
Monoisotopic Mass	363.11067264
Topological Polar Surface Area	57.2 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	585
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

Catalog	Name
GTR19180869	Oxychelerythrine