Thalidasine

CAS Registry Number®

16623-56-6
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CAS Name

Thalidasine

Molecular Formula

C39H44N2O7

Molecular Mass

652.78

Cite this Page

Thalidasine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16623-56-6 (retrieved 2024-06-01) (CAS RN: 16623-56-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    105-107 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C39H44N2O7/c1-40-17-15-27-28-22-34(44-5)37(45-6)36(27)48-39-35-25(21-33(43-4)38(39)46-7)14-16-41(2)30(35)19-24-10-13-31(42-3)32(20-24)47-26-11-8-23(9-12-26)18-29(28)40/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1

InChIKey

InChIKey=SVQMVSCWYACSCP-KYJUHHDHSA-N

SMILES

O(C)C1=C2C=3[C@](CC=4C=C(C(OC)=CC4)OC=5C=CC(C[C@]6(C7=C(C(O2)=C(OC)C(OC)=C7)CCN6C)[H])=CC5)(N(C)CCC3C=C1OC)[H]

Canonical SMILES

O1C2=CC=C(C=C2)CC3C4=CC(OC)=C(OC)C(OC=5C(OC)=C(OC)C=C6C5C(N(C)CC6)CC7=CC=C(OC)C1=C7)=C4CCN3C

Other Names for this Substance

  • 19H-2,3,7-[1,3]Butadien[1]yl[4]ylidene-9,12-etheno-14,18-metheno-4H-pyrido[2,3,4-tu]-1,13,6-benzodioxaazacyclodocosine, 5,6,7,8,19a,20,21,22-octahydro-15,24,25,31,32-pentamethoxy-6,20-dimethyl-, (7S,19aS)-
  • Thalidasine
  • Thalidasan, 6,6′,7,7′,12-pentamethoxy-2,2′-dimethyl-
  • Thalfetidine, O-methyl-
  • (7S,19aS)-5,6,7,8,19a,20,21,22-Octahydro-15,24,25,31,32-pentamethoxy-6,20-dimethyl-19H-2,3,7-[1,3]butadien[1]yl[4]ylidene-9,12-etheno-14,18-metheno-4H-pyrido[2,3,4-tu]-1,13,6-benzodioxaazacyclodocosine

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Deleted or Replaced CAS Registry Numbers

21899-44-5, 27743-63-1

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