MetaADEDB 2.0 @ LMMD
quinupristin-dalfopristin
(PPKJUHVNTMYXOD-HVWWIRKTSA-N)
Structure
SMILES
CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@@H](NC(=O)C2N(C(=O)[C@@H](N(C(=O)[C@H]3N(C1=O)CCC3)C)Cc1ccc(cc1)N(C)C)CC(CS[C@@H]1CN3CCC1CC3)C(=O)C2)c1ccccc1.CCN(CCS(=O)(=O)[C@@H]1CCN2C1C(=O)O[C@H](C(C)C)[C@H](C)/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc1nc(C2=O)co1)O)/C)CC
Molecular Formula:
C87H117N13O19S2
Molecular Weight:
1713.070
Log P:
6.7404
Hydrogen Bond Acceptor:
33
Hydrogen Bond Donor:
6
TPSA:
441.3
CAS Number(s):
126602-89-9
Synonym(s)
1.
quinupristin-dalfopristin
2.
RP 59500
3.
RP-59500
4.
Synercid
External Link(s)
MeSHC062940
PubChem Compound23724510
ChEBI8733
KEGGcpd:C08034
dr:D00854
Adverse Drug Event(s)
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