Cabergoline

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For Research Use Only | Not For Clinical Use
CATAPS81409907
CAS81409-90-7
Structure
MDL NumberMFCD00867887
Synonyms1-Ethyl-3-[3-(dimethylamino)propyl]-3-[[(6aR,9R,10aR)-7-(prop-2-enyl)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl]carbonyl]urea,Cabergoline
IUPAC Name(6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular Weight451.60
Molecular FormulaC26H37N5O2
Canonical SMILESCCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(CC=C)C1
InChIInChI=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
InChI KeyKORNTPPJEAJQIU-KJXAQDMKSA-N
Accurate Mass451.2947
FormatNeat
  • Verification code
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