Ethyl (3alpha,16alpha)-eburnamenine-14-carboxylate | CAS No. 42971-09-5

Ethyl (3alpha,16alpha)-eburnamenine-14-carboxylate

Basic Information

CAS Number

42971-09-5

Molecular Formula

C22H26N2O2

Molecular Weight

350.46 g/mol

AD

Basic Physical Properties

Physical State

Cryst.

Melting Point

149.0 to 153.0 deg-C

Boiling Point

419.5°C at 760 mmHg

Flash Point

207.5±28.7 °C

Solubility

DMSO: 5 mg/mL

Refractive Index

1.6500 (estimate)

Specific Rotation

+115.0 to +120.0° (c=2, Pyridine)

CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OCC

InChI

InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1

InChIKey

DDNCQMVWWZOMLN-IRLDBZIGSA-N

LogP

4.148300000000003

Topological Polar Surface Area

34.47 Ų

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

617

Safety Information

View Safety Information

GHS Hazard Pictograms

H302H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Toxicity

LD50 in mice, rats (mg/kg): 534, 503 orally; 240, 133.8 i.p.; 58.7, 42.6 i.v. (Pálosi, Szporny), also reported as 161.2 mg/kg i.p. in mice (Cholnoky, Dmk)

Synonyms & References

English

  • Vinpocetinum [INN-Latin]
  • Vinpocetinum
  • MFCD00211233
  • AY-27255
  • Spectrum_001400
  • KBio1_001367
  • Eburnamenine-14-carboxylic acid ethyl ester;
  • (3?,16?)-Eburnamenine-14-carboxylic acid ethyl ester
  • AC-22612
  • DTXCID903740
  • Cavinton
  • DivK1c_006423
  • TCV 3B
  • VINPOCETINE [JAN]
  • (3S,16S)-apovincaminic acid ethylester
  • SR-01000000118-3
  • SDCCGSBI-0051224.P003
  • Ethyl (+)-cis-apovincaminate
  • AMY39087
  • Spectrum4_001075
  • NCGC00018204-07
  • SR-01000075633
  • SMR000058241
  • NCGC00018204-05
  • Spectrum2_001529
  • W-202748
  • HMS3712F18
  • RGH 4405
  • ethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.0^{2,7}.0^{8,18}.0^{15,19}]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate
  • NCGC00018204-13
  • (+)-Apovincaminic acid ethyl ester

MDL Number

MFCD00211233

Customs Code

2933990090

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