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Crystamidine

CAT: 0931-TN11451-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN11451-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
58779-39-8
Target
Others
Related Pathways
Others
Bioactivity
Crystamidine, an alkaloid, can be isolated from the flower and seed extracts of the leguminous plant Erythrina caffra. It is useful for Alzheimer's disease research.
Smiles
O=C1N2[C@]3(C=4C(=CC5=C(C4)OCO5)C=C2)C(=C1)C=C[C@H](OC)C3
Molecular Formula
C18H15NO4
Molecular Weight
309.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Crystamidine
CAS Number58779-39-8
PubChem CID101922024
IUPAC Name(1S,19R)-19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,11,15,17-hexaen-14-one
Molecular FormulaC18H15NO4
Molecular Weight309.3
XLogP1.4
Topological Polar Surface Area48
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity639
SMILES
CO[C@@H]1C[C@@]23C(=CC(=O)N2C=CC4=CC5=C(C=C34)OCO5)C=C1
InChI
InChI=1S/C18H15NO4/c1-21-13-3-2-12-7-17(20)19-5-4-11-6-15-16(23-10-22-15)8-14(11)18(12,19)9-13/h2-8,13H,9-10H2,1H3/t13-,18-/m0/s1
InChIKey
NZMLLYZLUYBOGO-UGSOOPFHSA-N
Chemical Structure
2D Structure
2D structure of Crystamidine
CAS: 58779-39-8
CID: 101922024
Formula: C18H15NO4
MW: 309.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight309.3
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass309.10010796
Monoisotopic Mass309.10010796
Topological Polar Surface Area48 Ų
Heavy Atom Count23
Formal Charge0
Complexity639
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19266249-01Crystamidine

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