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Cabergoline

CAS Registry Number®

81409-90-7

CAS Name

Cabergoline

Molecular Formula

C26H37N5O2

Molecular Mass

451.60

Cite this Page

Cabergoline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81409-90-7 (retrieved 2024-11-23) (CAS RN: 81409-90-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    102-104 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21-,23-/m1/s1

InChIKey

InChIKey=KORNTPPJEAJQIU-KJXAQDMKSA-N

SMILES

C(C=C)N1[C@]2([C@@](C=3C=4C(C2)=CNC4C=CC3)(C[C@@H](C(N(C(NCC)=O)CCCN(C)C)=O)C1)[H])[H]

Canonical SMILES

O=C(NCC)N(C(=O)C1CN(CC=C)C2CC3=CNC4=CC=CC(=C43)C2C1)CCCN(C)C

Other Names for this Substance

  • Ergoline-8-carboxamide, N-[3-(dimethylamino)propyl]-N-[(ethylamino)carbonyl]-6-(2-propen-1-yl)-, (8β)-
  • Ergoline-8-carboxamide, N-[3-(dimethylamino)propyl]-N-[(ethylamino)carbonyl]-6-(2-propenyl)-, (8β)-
  • (8β)-N-[3-(Dimethylamino)propyl]-N-[(ethylamino)carbonyl]-6-(2-propen-1-yl)ergoline-8-carboxamide
  • Cabergoline
  • Sogilen

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