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Dihydroperaksine

CAT: 0804-HY-N3752Size: 1 EachDry Ice: NoHazardous: No
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Description
Dihydroperaksine is a Alkaloids product that can be isolated from the herbs of Rauvolfia verticillata[1].
CAS Number
16100-84-8
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/dihydroperaksine.html
Smiles
C[C@@H]1[N@]2[C@]3([H])C4=C(C5=CC=CC=C5N4)C[C@@]2([H])[C@@H]([C@@]([C@H]1CO)([H])C3)CO
Molecular Formula
C19H24N2O2
Molecular Weight
312.41
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

CID 10903055
CAS Number16100-84-8
PubChem CID10903055
IUPAC Name[(1S,12S,13R,14S,15R,16S)-13-(hydroxymethyl)-16-methyl-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-15-yl]methanol
Molecular FormulaC19H24N2O2
Molecular Weight312.4
XLogP1.8
Topological Polar Surface Area59.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity472
SMILES
C[C@H]1[C@@H]([C@@H]2C[C@@H]3N1[C@H]([C@@H]2CO)CC4=C3NC5=CC=CC=C45)CO
InChI
InChI=1S/C19H24N2O2/c1-10-14(8-22)12-6-18-19-13(7-17(21(10)18)15(12)9-23)11-4-2-3-5-16(11)20-19/h2-5,10,12,14-15,17-18,20,22-23H,6-9H2,1H3/t10-,12-,14-,15+,17-,18-/m0/s1
InChIKey
PBLXNPSLWYWTKM-KYGVLOPESA-N
Chemical Structure
2D Structure
2D structure of CID 10903055
CAS: 16100-84-8
CID: 10903055
Formula: C19H24N2O2
MW: 312.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.4
XLogP31.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass312.183778013
Monoisotopic Mass312.183778013
Topological Polar Surface Area59.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity472
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
380110Dihydroperaksine

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