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Sempervirine

CAT: 0013-GTR19155045-08Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155045-08Size:50 mg
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Description
Sempervirine can unwind circular DNA, it shows selective inhibition of in vitro synthesis of cancer DNA .
CAS Number
6882-99-1
Purity
>98% (HPLC)
Smiles
[N+]12=CC3=C (CCCC3) C=C1C (NC4=CC=CC=C45) =C5C=C2
Molecular Formula
C19H16N2
Molecular Weight
272.4
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Sempervirine cation

UQVUEULZDJRMJR-UHFFFAOYSA-O has been reported in Gelsemium elegans with data available.

CAS Number6882-99-1
PubChem CID165550
IUPAC Name16,17,18,19-tetrahydro-3H-yohimban-13-ium
Molecular FormulaC19H17N2+
Molecular Weight273.4
XLogP5.7
Topological Polar Surface Area19.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count21
Formal Charge1
Complexity395
SMILES
C1CCC2=C[N+]3=C(C=C2C1)C4=C(C=C3)C5=CC=CC=C5N4
InChI
InChI=1S/C19H16N2/c1-2-6-14-12-21-10-9-16-15-7-3-4-8-17(15)20-19(16)18(21)11-13(14)5-1/h3-4,7-12H,1-2,5-6H2/p+1
InChIKey
UQVUEULZDJRMJR-UHFFFAOYSA-O
Chemical Structure
2D Structure
2D structure of Sempervirine cation
CAS: 6882-99-1
CID: 165550
Formula: C19H17N2+
MW: 273.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight273.4
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass273.139173551
Monoisotopic Mass273.139173551
Topological Polar Surface Area19.9 Ų
Heavy Atom Count21
Formal Charge1
Complexity395
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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