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Hydroprotopine

CAT: 0931-T3S0128-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T3S0128-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
128397-41-1
Target
Others
Related Pathways
Others
Purity
0.9924
Bioactivity
Hydroprotopine, treatment for coronary heart disease and angina, and the treatment effect is remarkable.
Smiles
OC12C=3C(=CC4=C(C3)OCO4)CC[N+]1(C)CC=5C(C2)=CC=C6C5OCO6
Molecular Formula
C20H20NO5
Molecular Weight
354.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Hydroprotopine
CAS Number128397-41-1
PubChem CID14140130
IUPAC Name13-methyl-5,7,17,19-tetraoxa-13-azoniahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaen-1-ol
Molecular FormulaC20H20NO5+
Molecular Weight354.4
XLogP2.2
Topological Polar Surface Area57.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count26
Formal Charge1
Complexity589
SMILES
C[N+]12CCC3=CC4=C(C=C3C1(CC5=C(C2)C6=C(C=C5)OCO6)O)OCO4
InChI
InChI=1S/C20H20NO5/c1-21-5-4-12-6-17-18(25-10-24-17)7-15(12)20(21,22)8-13-2-3-16-19(14(13)9-21)26-11-23-16/h2-3,6-7,22H,4-5,8-11H2,1H3/q+1
InChIKey
SZMZXQWCICMUFH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroprotopine
CAS: 128397-41-1
CID: 14140130
Formula: C20H20NO5+
MW: 354.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.4
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass354.13414774
Monoisotopic Mass354.13414774
Topological Polar Surface Area57.2 Ų
Heavy Atom Count26
Formal Charge1
Complexity589
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TBZ2839Hydroprotopine

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