Tritoqualine

CAS Registry Number®

14504-73-5
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CAS Name

Tritoqualine

Molecular Formula

C26H32N2O8

Molecular Mass

500.54

Cite this Page

Tritoqualine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=14504-73-5 (retrieved 2024-04-24) (CAS RN: 14504-73-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    183 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C26H32N2O8/c1-6-31-23-17-16(18(27)24(32-7-2)25(23)33-8-3)26(29)36-21(17)19-15-13(9-10-28(19)4)11-14-20(22(15)30-5)35-12-34-14/h11,19,21H,6-10,12,27H2,1-5H3

InChIKey

InChIKey=IRGJVQIJENCTQF-UHFFFAOYSA-N

SMILES

O(CC)C1=C2C(OC(=O)C2=C(N)C(OCC)=C1OCC)C3C=4C(OC)=C5C(=CC4CCN3C)OCO5

Canonical SMILES

O=C1OC(C=2C(OCC)=C(OCC)C(OCC)=C(N)C12)C3C4=C(OC)C=5OCOC5C=C4CCN3C

Other Names for this Substance

  • 1(3H)-Isobenzofuranone, 7-amino-4,5,6-triethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-
  • Phthalide, 7-amino-4,5,6-triethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-
  • 1,3-Dioxolo[4,5-g]isoquinoline, 1(3H)-isobenzofuranone deriv.
  • 7-Amino-4,5,6-triethoxy-3-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-1(3H)-isobenzofuranone
  • Tritoqualine

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Deleted or Replaced CAS Registry Numbers

4835-67-0, 6429-02-3, 20438-00-0

CAS INSIGHTSTM
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