Capnoidine

CAS Registry Number®

485-50-7

CAS Name

Capnoidine

Molecular Formula

C20H17NO6

Molecular Mass

367.35

Cite this Page

Capnoidine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=485-50-7 (retrieved 2024-11-22) (CAS RN: 485-50-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    235-237 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18-/m1/s1

InChIKey

InChIKey=IYGYMKDQCDOMRE-QZTJIDSGSA-N

SMILES

CN1[C@@]([C@]2(C3=C(C(=O)O2)C4=C(C=C3)OCO4)[H])(C5=C(C=C6C(=C5)OCO6)CC1)[H]

Canonical SMILES

O=C1OC(C2=CC=C3OCOC3=C12)C4C5=CC=6OCOC6C=C5CCN4C

Other Names for this Substance

  • Furo[3,4-e]-1,3-benzodioxol-8(6H)-one, 6-[(5R)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, (6R)-
  • Capnoidine
  • Furo[3,4-e]-1,3-benzodioxol-8(6H)-one, 6-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, [R-(R*,R*)]-
  • 1,3-Dioxolo[4,5-g]isoquinoline, furo[3,4-e]-1,3-benzodioxol-8(6H)-one deriv.
  • (6R)-6-[(5R)-5,6,7,8-Tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]furo[3,4-e]-1,3-benzodioxol-8(6H)-one

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Deleted or Replaced CAS Registry Numbers

25344-52-9

CAS INSIGHTSTM
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