Ergotaman-3′,6′,18-trione, 2′-ethyl-12′-hydroxy-5′-(phenylmethyl)-, (5′α)-, (2Z)-2-butenedioate (1:2) (salt)

CAS Registry Number®

5004-95-5

CAS Name

Ergotaman-3′,6′,18-trione, 2′-ethyl-12′-hydroxy-5′-(phenylmethyl)-, (5′α)-, (2Z)-2-butenedioate (1:2) (salt)

Molecular Formula

C34H37N5O5.2C4H4O4

Cite this Page

Ergotaman-3′,6′,18-trione, 2′-ethyl-12′-hydroxy-5′-(phenylmethyl)-, (5′α)-, (2Z)-2-butenedioate (1:2) (salt).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5004-95-5 (retrieved 2024-11-22) (CAS RN: 5004-95-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    191-192 °C (decomp)

Source(s)

Other Names and Identifiers

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)(CC)O2.C(=C\C(O)=O)\C(O)=O

Canonical SMILES

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

Other Names for this Substance

  • Ergotaman-3′,6′,18-trione, 2′-ethyl-12′-hydroxy-5′-(phenylmethyl)-, (5′α)-, (2Z)-2-butenedioate (1:2) (salt)
  • Ergotaman-3′,6′,18-trione, 2′-ethyl-12′-hydroxy-5′-(phenylmethyl)-, (5′α)-, (Z)-2-butenedioate (1:2) (salt)
  • Ergostine, maleate
  • 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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