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Catharanthine

CAT: 1299-RM-C020400-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C020400-02Size:100 mg
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CAS Number
2468-21-5
Synonyms
Methyl (6R,6aR,9R,11R) -7-ethyl-9,10,12,13-tetrahydro-5H-6,9-methanopyrido[1',2':1,2]azepino[4,5-b]indole-6 (6aH) -carboxylate
Molecular Formula
C21H24N2O2
Molecular Weight
336.44
Target Alternative Name
Catharanthine

Chemical Information

(+)-Catharanthine

Catharanthine is an organic heteropentacyclic compound and monoterpenoid indole alkaloid produced by the medicinal plant Catharanthus roseus via strictosidine. It is a methyl ester, a bridged compound, an organic heteropentacyclic compound, an alkaloid ester, a tertiary amino compound and a monoterpenoid indole alkaloid. It is a conjugate base of a catharanthine(1+).

CAS Number2468-21-5
PubChem CID5458190
IUPAC Namemethyl (1R,15R,18R)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene-1-carboxylate
Molecular FormulaC21H24N2O2
Molecular Weight336.4
XLogP2.8
Topological Polar Surface Area45.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity603
SMILES
CCC1=C[C@H]2C[C@]3([C@@H]1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC
InChI
InChI=1S/C21H24N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3/t13-,19+,21-/m0/s1
InChIKey
CMKFQVZJOWHHDV-NQZBTDCJSA-N
Chemical Structure
2D Structure
2D structure of (+)-Catharanthine
CAS: 2468-21-5
CID: 5458190
Formula: C21H24N2O2
MW: 336.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.4
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass336.183778013
Monoisotopic Mass336.183778013
Topological Polar Surface Area45.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity603
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

Alternative Products

CatalogName
N1382-50Catharanthine
N2253-50Catharanthine hemitartrate
N2053-100Catharanthine Sulfate
FC19838-01Catharanthine tartrate
HY-N0252R-01Catharanthine (Standard)
371267Catharanthine discontinued
HY-N0252A-01Catharanthine (Tartrate)

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