MetaADEDB 2.0 @ LMMD
mesulergine
(JLVHTNZNKOSCNB-YSVLISHTSA-N)
Structure
SMILES
CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C
Molecular Formula:
C18H26N4O2S
Molecular Weight:
362.490
Log P:
2.6963
Hydrogen Bond Acceptor:
6
Hydrogen Bond Donor:
1
TPSA:
65.96
CAS Number(s):
64795-35-3
Synonym(s)
1.
mesulergine
2.
CQ 32085
3.
CU 32-085
4.
CU-32085
5.
N'-(1,6-dimethylergolin-8alpha-yl)-N,N-dimethylsulfamide
6.
mesulergine monohydrochloride
External Link(s)
MeSHC031649
PubChem Compound68848
BindingDB50024204
ChEBI73378
CHEMBLCHEMBL12314
IUPHAR/BPS Guide to PHARMACOLOGY206
Therapeutic Target DatabaseD0K5NZ
ZINC4216874
Adverse Drug Event(s)
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