Aranotin

CAS Registry Number®

19885-51-9

CAS Name

Aranotin

Molecular Formula

C20H18N2O7S2

Molecular Mass

462.50

Cite this Page

Aranotin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=19885-51-9 (retrieved 2024-09-29) (CAS RN: 19885-51-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    198-200 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H18N2O7S2/c1-10(23)29-14-3-5-28-9-12-7-20-17(25)21-15-11(8-27-4-2-13(15)24)6-19(21,30-31-20)18(26)22(20)16(12)14/h2-5,8-9,13-16,24H,6-7H2,1H3/t13-,14-,15-,16-,19+,20+/m0/s1

InChIKey

InChIKey=HXWOWBFXYUFFKS-PSJNWGMYSA-N

SMILES

O=C1[C@@]23N([C@]4(C(C2)=COC=C[C@@H]4OC(C)=O)[H])C(=O)[C@]5(N1[C@]6(C(C5)=COC=C[C@@H]6O)[H])SS3

Canonical SMILES

O=C(OC1C=COC=C2CC34SSC5(C(=O)N3C21)N(C4=O)C6C(=COC=CC6O)C5)C

Other Names for this Substance

  • 8H,16H-7a,15a-Epidithio-7H,15H-bisoxepino[3′,4′:4,5]pyrrolo[1,2-a:1′,2′-d]pyrazine-7,15-dione, 5-(acetyloxy)-5,5a,13,13a-tetrahydro-13-hydroxy-, (5S,5aS,7aR,13S,13aS,15aR)-
  • 8H,16H-7a,15a-Epidithio-7H,15H-bisoxepino[3′,4′:4,5]pyrrolo[1,2-a:1′,2′-d]pyrazine-7,15-dione, 5,5a,13,13a-tetrahydro-5,13-dihydroxy-, 5-acetate
  • 8H,16H-7a,15a-Epidithio-7H,15H-bisoxepino[3′,4′:4,5]pyrrolo[1,2-a:1′,2′-d]pyrazine-7,15-dione, 5-(acetyloxy)-5,5a,13,13a-tetrahydro-13-hydroxy-, [5S-(5α,5aα,7aβ,13α,13aα,15aβ)]-
  • (5S,5aS,7aR,13S,13aS,15aR)-5-(Acetyloxy)-5,5a,13,13a-tetrahydro-13-hydroxy-8H,16H-7a,15a-epidithio-7H,15H-bisoxepino[3′,4′:4,5]pyrrolo[1,2-a:1′,2′-d]pyrazine-7,15-dione
  • Aranotin

View All

Deleted or Replaced CAS Registry Numbers

126320-65-8, 26932-54-7, 29864-57-1

CAS INSIGHTSTM
© Nobel Prize Outreach. Photo: Hugh Fox