Ergocryptine

CAS Registry Number®

511-09-1
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CAS Name

Ergocryptine

Molecular Formula

C32H41N5O5

Molecular Mass

575.70

Cite this Page

Ergocryptine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=511-09-1 (retrieved 2024-04-18) (CAS RN: 511-09-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    212 °C (decomp)

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24-,25+,26+,31-,32+/m1/s1

InChIKey

InChIKey=YDOTUXAWKBPQJW-NSLWYYNWSA-N

SMILES

O[C@@]12N([C@@H](CC(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@@H](C)C)O2

Canonical SMILES

O=C(NC1(OC2(O)N(C1=O)C(C(=O)N3CCCC32)CC(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′-(1-methylethyl)-5′-(2-methylpropyl)-, (5′α)-
  • Ergocryptine
  • 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′-(2-methylpropyl)ergotaman-3′,6′,18-trione

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Deleted or Replaced CAS Registry Numbers

1367-70-0, 22937-54-8, 26290-85-7, 28580-46-3, 148043-10-1

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