Ergovaline

CAS Registry Number®

2873-38-3

CAS Name

Ergovaline

Molecular Formula

C29H35N5O5

Molecular Mass

533.62

Cite this Page

Ergovaline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2873-38-3 (retrieved 2024-11-25) (CAS RN: 2873-38-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    221-222 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H35N5O5/c1-15(2)24-26(36)33-10-6-9-22(33)29(38)34(24)27(37)28(3,39-29)31-25(35)17-11-19-18-7-5-8-20-23(18)16(13-30-20)12-21(19)32(4)14-17/h5,7-8,11,13,15,17,21-22,24,30,38H,6,9-10,12,14H2,1-4H3,(H,31,35)/t17-,21-,22+,24+,28-,29+/m1/s1

InChIKey

InChIKey=BGHDUTQZGWOQIA-VQSKNWBGSA-N

SMILES

O[C@@]12N([C@@H](C(C)C)C(=O)N3[C@]1(CCC3)[H])C(=O)[C@@](NC(=O)[C@@H]4C=C5C=6C=7C(C[C@]5(N(C)C4)[H])=CNC7C=CC6)(C)O2

Canonical SMILES

O=C(NC1(OC2(O)N(C1=O)C(C(=O)N3CCCC32)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′-methyl-5′-(1-methylethyl)-, (5′α)-
  • Ergovaline
  • 8H-Oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine, ergotaman-3′,6′,18-trione deriv.
  • Indolo[4,3-fg]quinoline, ergotaman-3′,6′,18-trione deriv.
  • (5′α)-12′-Hydroxy-2′-methyl-5′-(1-methylethyl)ergotaman-3′,6′,18-trione

View All

Deleted or Replaced CAS Registry Numbers

33066-64-7

CAS INSIGHTSTM
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