chempirical

Cabergoline

C26H37N5O2CAS 81409-90-7451.62 g/mol

Open in Covalent MOL file
NONNONHNH
AlkeneAmideTertiary amine

Properties

Molecular formula
C26H37N5O2
Molar mass
451.62 g/mol
Exact mass
451.2947 Da
Melting point
102–104 °C
logP
3.40Crippen estimate
Polar surface area
75.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
8
Stereocentres
R, R, Rin SMILES atom order

Identifiers

CAS number
81409-90-7
SMILES
C=CCN1C[C@H](C(=O)N(CCCN(C)C)C(O)=NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
InChIKey
KORNTPPJEAJQIU-KJXAQDMKSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • 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
  • Sogilen
  • Dostinex
  • Cabaser
  • Galastop
  • Cabaseril
  • Velactis

Work with Cabergoline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pergolide mesylate66104-23-237 % similar Dihydroergotamine mesylate6190-39-235 % similar (+)-Lysergic acid diethylamide50-37-332 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook