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Vincamine

CAT: 0931-T1286-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T1286-01Size:500 mg
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CAS Number
1617-90-9
Target
GPCR
Related Pathways
GPCR/G Protein, Endocrinology/Hormones
Purity
0.9952
Bioactivity
Vincamine (Perval) is a major alkaloid of Vinca minor L., Apocynaceae. It has been used therapeutically as a vasodilator and antihypertensive agent, particularly in cerebrovascular disorders.
Smiles
CCC12CCCN3CCC4=C(C13)N(C1=CC=CC=C41)C(O)(C2)C(=O)OC
Molecular Formula
C21H26N2O3
Molecular Weight
354.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Vincamine

Vincamine is a methyl ester, a vinca alkaloid, an organic heteropentacyclic compound, an alkaloid ester and a hemiaminal. It has a role as a metabolite, a vasodilator agent and an antihypertensive agent. It is functionally related to an eburnamenine.

CAS Number1617-90-9
PubChem CID15376
IUPAC Namemethyl (15S,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate
Molecular FormulaC21H26N2O3
Molecular Weight354.4
XLogP2.9
Topological Polar Surface Area54.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity598
SMILES
CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4[C@](C2)(C(=O)OC)O
InChI
InChI=1S/C21H26N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/t18-,20+,21+/m1/s1
InChIKey
RXPRRQLKFXBCSJ-GIVPXCGWSA-N
Chemical Structure
2D Structure
2D structure of Vincamine
CAS: 1617-90-9
CID: 15376
Formula: C21H26N2O3
MW: 354.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight354.4
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass354.19434270
Monoisotopic Mass354.19434270
Topological Polar Surface Area54.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity598
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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