Cas no 2671-32-1 (Picraline)

Picraline structure
Picraline structure
Product Name:Picraline
CAS No:2671-32-1
MF:C23H26N2O5
MW:410.462946414948
CID:274378
PubChem ID:85074732
Update Time:2025-04-19

Picraline Chemical and Physical Properties

Names and Identifiers

    • 2H,12H-6,12a-Epoxy-2,7a-methanoindolo[2,3-a]quinolizine-14-carboxylicacid, 14-[(acetyloxy)methyl]-3-ethylidene-1,3,4,6,7,12b-hexahydro-, methylester, (2S,3E,6S,7aS,12aR,12bS,14R)-
    • Picraline
    • 2-(Cyanomethyl)-1-propene-1,1,3,3-tetracarbonitrile
    • 2H,12H-6,12a-Epoxy-2,7a-methanoindolo[2,3-a]quinolizine-14-carboxylicacid, 14-[(acetyloxy)meth...
    • 2H,12H-6,12a-Epoxy-2,7a-methanoindolo[2,3-a]quinolizine-14-carboxylicacid, 14-[(acetyloxy)methyl]-3-ethylidene-1,3,4,6,7,12b-
    • 2H,12H-6,12a-Epoxy-2,7a-methanoindolo[2,3-a]quinolizine-14-carboxylic acid,14-[(acetyloxy)methyl]-3-ethylidene-1,3,4,6,7,12b-hexahydro-, methyl ester,[2S-(2a,3E,6b,7aa,12ab,12bb,14S
    • 2H,12H-6,12a-Epoxy-2,7a-methanoindolo[2,3-a]quinolizine-14-carboxylicacid, 3-ethylidene-1,3,4,6,7,12b-hexahydro-14-(hydroxymethyl)-, methyl ester,acetate (7CI)
    • Akuammilan-16-carboxylic acid,17-(acetyloxy)-2,5-epoxy-1,2-dihydro-, methyl ester, (2a,5a,16R)-
    • B0005-458088
    • methyl (1R,9S,11S,14E,15S,17S,19R)-19-(acetyloxymethyl)-14-ethylidene-18-oxa-2,12-diazahexacyclo[9.6.1.1^{9,15.0^{1,9.0^{3,8.0^{12,17]nonadeca-3,5,7-triene-19-carboxylate
    • methyl 19-(acetyloxymethyl)-14-ethylidene-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate
    • Inchi: 1S/C23H26N2O5/c1-4-14-11-25-18-9-16(14)21(20(27)28-3,12-29-13(2)26)22-10-19(25)30-23(18,22)24-17-8-6-5-7-15(17)22/h4-8,16,18-19,24H,9-12H2,1-3H3
    • InChI Key: DXTJMQCRVFWNBD-UHFFFAOYSA-N
    • SMILES: O1C2CC34C5C=CC=CC=5NC13C1CC(C(=CC)CN12)C4(C(=O)OC)COC(C)=O

Computed Properties

  • Exact Mass: 410.18400
  • Monoisotopic Mass: 410.184
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 5
  • Complexity: 844
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 77.1A^2
  • XLogP3: 1.8

Experimental Properties

  • Color/Form: Powder
  • PSA: 77.10000
  • LogP: 2.25500

Picraline Security Information

  • Storage Condition:Store at room temperature, 2-8 ℃ is better

Picraline Pricemore >>

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