Ergocornine

CAS Registry Number®

564-36-3

CAS Name

Ergocornine

Molecular Formula

C31H39N5O5

Molecular Mass

561.67

Cite this Page

Ergocornine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=564-36-3 (retrieved 2024-11-22) (CAS RN: 564-36-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    182-184 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23-,24+,26+,30-,31+/m1/s1

InChIKey

InChIKey=UJYGDMFEEDNVBF-OGGGUQDZSA-N

SMILES

O[C@]12N(C(=O)[C@@](NC(=O)[C@@H]3C=C4C=5C=6C(C[C@]4(N(C)C3)[H])=CNC6C=CC5)(C(C)C)O1)[C@@H]([C@@H](C)C)C(=O)N7[C@]2(CCC7)[H]

Canonical SMILES

O=C(NC1(OC2(O)N(C1=O)C(C(=O)N3CCCC32)C(C)C)C(C)C)C4C=C5C=6C=CC=C7NC=C(C76)CC5N(C)C4

Other Names for this Substance

  • Ergotaman-3′,6′,18-trione, 12′-hydroxy-2′,5′-bis(1-methylethyl)-, (5′α)-
  • Ergocornine
  • Indolo[4,3-fg]quinoline, ergotaman-3′,6′,18-trione deriv.
  • 8H-Oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine, ergotaman-3′,6′,18-trione deriv.
  • (5′α)-12′-Hydroxy-2′,5′-bis(1-methylethyl)ergotaman-3′,6′,18-trione

View All

Deleted or Replaced CAS Registry Numbers

10023-57-1, 47825-65-0, 47824-76-0, 1080513-71-8

CAS INSIGHTSTM
Targeted protein degrader structure, illustration