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(+)-Bromocriptine

CAS Registry Number®

25614-03-3

CAS Name

(+)-Bromocriptine

Molecular Formula

C32H40BrN5O5

Molecular Mass

654.59

Cite this Page

(+)-Bromocriptine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=25614-03-3 (retrieved 2024-11-24) (CAS RN: 25614-03-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    215-218 °C (decomp)

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1

InChIKey

InChIKey=OZVBMTJYIDMWIL-AYFBDAFISA-N

SMILES

O[C@]12N(C(=O)[C@@](NC(=O)[C@@H]3C=C4C=5C=6C(C[C@]4(N(C)C3)[H])=C(Br)NC6C=CC5)(C(C)C)O1)[C@@H](CC(C)C)C(=O)N7[C@]2(CCC7)[H]

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(Br)=C(C76)CC5N(C)C4

Other Names for this Substance

  • Ergotaman-3′,6′,18-trione, 2-bromo-12′-hydroxy-2′-(1-methylethyl)-5′-(2-methylpropyl)-, (5′α)-
  • Ergocryptine, 2-bromo-
  • 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)-2-Bromo-12′-hydroxy-2′-(1-methylethyl)-5′-(2-methylpropyl)ergotaman-3′,6′,18-trione

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Deleted or Replaced CAS Registry Numbers

127931-09-3, 26409-15-4, 47830-26-2, 148043-11-2

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