Cas no 467-77-6 (Ibogamine-18-carboxylic Acid Methyl Ester)

Ibogamine-18-carboxylic Acid Methyl Ester structure
467-77-6 structure
Product Name:Ibogamine-18-carboxylic Acid Methyl Ester
CAS No:467-77-6
MF:C21H26N2O2
MW:338.443345546722
CID:882939
PubChem ID:73489
Update Time:2025-04-19

Ibogamine-18-carboxylic Acid Methyl Ester Chemical and Physical Properties

Names and Identifiers

    • Coronaridine
    • methyl ibogamine-18-carboxylate
    • (-)-1,2-(Methylenedioxy)-1,2-didemethoxycolchicine
    • (+-)-Coronaridin
    • 1,2-(methylenedioxy)-1,2-dimethylcolchicine
    • Acetamide,N-(6,7,8,10-tetrahydro-4,11-dimethoxy-10-oxoheptaleno(1,2-e)-1,3-benzodioxol-8-yl)-,(S)
    • Catharanthin
    • cornigerine
    • Dihydrocatharanthin
    • ibogamine-18-carboxylic acid methyl ester
    • n-(4,11-dimethoxy-10-oxo-6,7,8,10-tetrahydroheptaleno[1',2':3,4]benzo[1,2-d][1,3]dioxol-8-yl)acetamide
    • (-)-Coronaridine
    • Coronaridin
    • NSC 127490
    • Coronardine
    • SCHEMBL18722965
    • NCGC00385157-01
    • NSC-127490
    • 467-77-6
    • AKOS040734887
    • CHEBI:3887
    • DTXSID60963642
    • FS-8035
    • EINECS 207-398-7
    • CS-0079497
    • methyl (1S,15R,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
    • SCHEMBL2343450
    • NVVDQMVGALBDGE-PZXGUROGSA-N
    • HY-121118
    • NS00043651
    • Ibogamine-18-carboxylic acid, methyl ester
    • C09139
    • CHEMBL364613
    • BDBM50329102
    • NSC127490
    • Q5172181
    • NVVDQMVGALBDGE-KSWFMABOSA-N
    • methyl (1S,15S,17S,18S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
    • G13739
    • Ibogamine-18-carboxylic Acid Methyl Ester
    • Inchi: 1S/C21H26N2O2/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/h4-7,13-14,19,22H,3,8-12H2,1-2H3/t13-,14+,19+,21-/m1/s1
    • InChI Key: NVVDQMVGALBDGE-PZXGUROGSA-N
    • SMILES: O(C)C([C@]12C3=C(C4C=CC=CC=4N3)CCN3C[C@H](C[C@H](CC)[C@H]31)C2)=O

Computed Properties

  • Exact Mass: 338.19900
  • Monoisotopic Mass: 338.199
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 3
  • Complexity: 552
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 45.3A^2
  • XLogP3: 3.5

Experimental Properties

  • Color/Form: Powder
  • Density: 1.24±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 92-93 oC
  • Boiling Point: 488.1°C at 760 mmHg
  • Flash Point: 249°C
  • Refractive Index: 1.642
  • Solubility: Almost insoluble (0.024 g/l) (25 o C),
  • PSA: 45.33000
  • LogP: 3.19310

Ibogamine-18-carboxylic Acid Methyl Ester Pricemore >>

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