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Chelidonin 50mg

CAT: 0628-A12147-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A12147-50Size:50 mg
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CAS Number
476-32-4

Chemical Information

Chelidonine

Chelidonine is an alkaloid fundamental parent, a benzophenanthridine alkaloid and an alkaloid antibiotic.

CAS Number476-32-4
PubChem CID197810
IUPAC Name(1S,12S,13R)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol
Molecular FormulaC20H19NO5
Molecular Weight353.4
XLogP2.2
Topological Polar Surface Area60.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count26
Formal Charge0
Complexity560
SMILES
CN1CC2=C(C=CC3=C2OCO3)[C@@H]4[C@H]1C5=CC6=C(C=C5C[C@@H]4O)OCO6
InChI
InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3/t14-,18-,19+/m0/s1
InChIKey
GHKISGDRQRSCII-ZOCIIQOWSA-N
Chemical Structure
2D Structure
2D structure of Chelidonine
CAS: 476-32-4
CID: 197810
Formula: C20H19NO5
MW: 353.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.4
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass353.12632271
Monoisotopic Mass353.12632271
Topological Polar Surface Area60.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity560
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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