Ergocristine

CAS Registry Number®

511-08-0

CAS Name

Ergocristine

Molecular Formula

C35H39N5O5

Molecular Mass

609.71

Cite this Page

Ergocristine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=511-08-0 (retrieved 2024-11-22) (CAS RN: 511-08-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    155-157 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28+,29+,34-,35+/m1/s1

InChIKey

InChIKey=HEFIYUQVAZFDEE-MKTPKCENSA-N

SMILES

O[C@@]12N([C@@H](CC3=CC=CC=C3)C(=O)N4[C@]1(CCC4)[H])C(=O)[C@@](NC(=O)[C@@H]5C=C6C=7C=8C(C[C@]6(N(C)C5)[H])=CNC8C=CC7)(C(C)C)O2

Canonical SMILES

O=C(NC1(OC2(O)N(C1=O)C(C(=O)N3CCCC32)CC=4C=CC=CC4)C(C)C)C5C=C6C=7C=CC=C8NC=C(C87)CC6N(C)C5

Other Names for this Substance

  • Ergotaman-3′,6′,18-trione, 12′-hydroxy-2′-(1-methylethyl)-5′-(phenylmethyl)-, (5′α)-
  • Ergocristine
  • 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′-(1-methylethyl)-5′-(phenylmethyl)ergotaman-3′,6′,18-trione

View All

Deleted or Replaced CAS Registry Numbers

22973-77-9, 24177-05-7, 1080515-62-3

CAS INSIGHTSTM
Targeted protein degrader structure, illustration