Nicergoline

CAS Registry Number®

27848-84-6
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CAS Name

Nicergoline

Molecular Formula

C24H26BrN3O3

Molecular Mass

484.39

Cite this Page

Nicergoline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=27848-84-6 (retrieved 2024-04-24) (CAS RN: 27848-84-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    136-138 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C24H26BrN3O3/c1-27-13-17-8-21-24(30-3,19-5-4-6-20(27)22(17)19)9-15(12-28(21)2)14-31-23(29)16-7-18(25)11-26-10-16/h4-7,10-11,13,15,21H,8-9,12,14H2,1-3H3/t15-,21-,24+/m1/s1

InChIKey

InChIKey=YSEXMKHXIOCEJA-FVFQAYNVSA-N

SMILES

O(C)[C@@]12C=3C=4C(C[C@]1(N(C)C[C@H](COC(=O)C=5C=C(Br)C=NC5)C2)[H])=CN(C)C4C=CC3

Canonical SMILES

O=C(OCC1CN(C)C2CC3=CN(C4=CC=CC(=C43)C2(OC)C1)C)C=5C=NC=C(Br)C5

Other Names for this Substance

  • Ergoline-8-methanol, 10-methoxy-1,6-dimethyl-, 8-(5-bromo-3-pyridinecarboxylate), (8β)-
  • Ergoline-8β-methanol, 10-methoxy-1,6-dimethyl-, 5-bromonicotinate (ester)
  • Ergoline-8-methanol, 10-methoxy-1,6-dimethyl-, 5-bromo-3-pyridinecarboxylate (ester), (8β)-
  • Nicotinic acid, 5-bromo-, (10-methoxy-1,6-dimethylergolin-8β-yl)methyl ester
  • Indolo[4,3-fg]quinoline, ergoline-8-methanol deriv.

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Deleted or Replaced CAS Registry Numbers

24705-56-4, 37415-54-6, 47673-09-6

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