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Vasicine hydrochloride

CAT: 0931-T8298-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T8298-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7174-27-8
Target
PI3K, Akt, Antibacterial, Antibiotic
Related Pathways
Microbiology/Virology, PI3K/Akt/mTOR signaling, Cytoskeletal Signaling
Purity
0.9988
Bioactivity
Vasicine hydrochloride (Peganine hydrochloride) (peganine hydrochloride) is an alkaloid isolated from Justicia adhatoda. It possesses an anti-tuberculosis activity.
Smiles
Cl.O[C@H]1CCN2Cc3ccccc3N=C12
Molecular Formula
C11H13ClN2O
Molecular Weight
224.68
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Vasicine hydrochloride
CAS Number7174-27-8
PubChem CID197084
IUPAC Name(3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol;hydrochloride
Molecular FormulaC11H13ClN2O
Molecular Weight224.68
Topological Polar Surface Area35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity264
SMILES
C1CN2CC3=CC=CC=C3N=C2[C@H]1O.Cl
InChI
InChI=1S/C11H12N2O.ClH/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13;/h1-4,10,14H,5-7H2;1H/t10-;/m0./s1
InChIKey
CSDQSAHJCAKJPT-PPHPATTJSA-N
Chemical Structure
2D Structure
2D structure of Vasicine hydrochloride
CAS: 7174-27-8
CID: 197084
Formula: C11H13ClN2O
MW: 224.68
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight224.68
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass224.0716407
Monoisotopic Mass224.0716407
Topological Polar Surface Area35.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity264
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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