Roquefortine

CAS Registry Number®

58735-64-1

CAS Name

Roquefortine

Molecular Formula

C22H23N5O2

Molecular Mass

389.45

Cite this Page

Roquefortine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58735-64-1 (retrieved 2024-11-22) (CAS RN: 58735-64-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    202-205 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C22H23N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-9,11-12,17,20,26H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b16-9+/t17-,20-,22+/m0/s1

InChIKey

InChIKey=SPWSUFUPTSJWNG-JJUKSXGLSA-N

SMILES

C(C=C)(C)(C)[C@]12[C@](N3[C@@](C1)(C(=O)N\C(=C\C4=CN=CN4)\C3=O)[H])(NC=5C2=CC=CC5)[H]

Canonical SMILES

O=C1NC(=CC2=CN=CN2)C(=O)N3C4NC=5C=CC=CC5C4(CC13)C(C=C)(C)C

Other Names for this Substance

  • 2H-Pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione, 10b-(1,1-dimethyl-2-propen-1-yl)-6,10b,11,11a-tetrahydro-3-(1H-imidazol-5-ylmethylene)-, (3E,5aS,10bR,11aS)-
  • 2H-Pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione, 10b-(1,1-dimethyl-2-propenyl)-6,10b,11,11a-tetrahydro-3-(1H-imidazol-4-ylmethylene)-, (3E,5aS,10bR,11aS)-
  • (3E,5aS,10bR,11aS)-10b-(1,1-Dimethyl-2-propen-1-yl)-6,10b,11,11a-tetrahydro-3-(1H-imidazol-5-ylmethylene)-2H-pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione
  • Roquefortine
  • Roquefortine C

View All

Deleted or Replaced CAS Registry Numbers

56832-54-3

CAS INSIGHTSTM
Targeted protein degrader structure, illustration