Mesulergine hydrochloride

Name: Mesulergine hydrochloride
CAS#: 72786-12-0
Chemical Formula: C18H27ClN4O2S
Exact Mass: 398.1543
Molecular Weight: 398.95
Elemental Analysis: C, 54.19; H, 6.82; Cl, 8.89; N, 14.04; O, 8.02; S, 8.04

Description: Mesulergine hydrochloride is a 5-HT2A and 5-HT2C antagonist and also a D2-like partial agonist.

IUPAC/Chemical Name: Sulfamide, N'-((8-alpha)-1,6-dimethylergolin-8-yl)-N,N-dimethyl-, monohydrochloride

InChi Key: HANSYUJEPWNHIM-IVMONYBCSA-N

InChi Code: InChI=1S/C18H26N4O2S.ClH/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13;/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3;1H/t13-,15+,17+;/m0./s1

SMILES Code: O=S(N[C@@H](C[C@@]12[H])CN(C)[C@]1([H])CC3=CN(C)C4=C3C2=CC=C4)(N(C)C)=O.[H]Cl

Appearance: Solid powder