Dihydroergocornine

CAS Registry Number®

25447-65-8

CAS Name

Dihydroergocornine

Molecular Formula

C31H41N5O5

Molecular Mass

563.69

Cite this Page

Dihydroergocornine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=25447-65-8 (retrieved 2024-11-22) (CAS RN: 25447-65-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    185-187 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C31H41N5O5/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/h6,8-9,14,16-17,19,21,23-24,26,32,40H,7,10-13,15H2,1-5H3,(H,33,37)/t19-,21-,23-,24+,26+,30-,31+/m1/s1

InChIKey

InChIKey=SEALOBQTUQIVGU-QNIJNHAOSA-N

SMILES

O[C@]12N(C(=O)[C@@](NC(=O)[C@@H]3C[C@@]4(C=5C=6C(C[C@]4(N(C)C3)[H])=CNC6C=CC5)[H])(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)C4CN(C)C5CC6=CNC7=CC=CC(=C76)C5C4

Other Names for this Substance

  • Ergotaman-3′,6′,18-trione, 9,10-dihydro-12′-hydroxy-2′,5′-bis(1-methylethyl)-, (5′α,10α)-
  • Ergocornine, 9,10-dihydro-
  • Ergocornine, dihydro-
  • 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.

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Deleted or Replaced CAS Registry Numbers

5611-87-0, 17479-17-3, 53176-61-7

CAS INSIGHTSTM
Targeted protein degrader structure, illustration