Molecular Identity
Calcium ionophore
ethyl 12-[[2-[3-[2-[(12-ethoxy-12-oxododecyl)-methylamino]-2-oxoethoxy]butan-2-yloxy]acetyl]-methylamino]dodecanoate
PubChem CID: 2511
2D Structure
Properties
C38H72N2O8
Molecular Formula
685.00
Molecular Weight
g/mol
684.5289
Exact Mass
Da
8.9
XLogP
Above Lipinski threshold
112
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
8
H-Bond Acceptors
759
Complexity
SMILES
Canonical SMILES
SMILES: CCOC(=O)CCCCCCCCCCCN(C)C(=O)COC(C)C(C)OCC(=O)N(C)CCCCCCCCCCCC(=O)OCCIsomeric SMILES
SMILES: CCOC(=O)CCCCCCCCCCCN(C)C(=O)COC(C)C(C)OCC(=O)N(C)CCCCCCCCCCCC(=O)OCCSynonyms(8)
Calcium ionophoreSCHEMBL10525882DTXSID001385819ethyl 12-[[2-[3-[2-[(12-ethoxy-12-oxododecyl)-methylamino]-2-oxoethoxy]butan-2-yloxy]acetyl]-methylamino]dodecanoateNS00052913(17R,18R)-diethyl 13,17,18,22-tetramethyl-14,21-dioxo-16,19-dioxa-13,22-diazatetratriacontane-1,34-dioate16,19-Dioxa-13,22-diazatetratriacontanedioic acid, 13,17,18,22-tetramethyl-14,21-dioxo-, 1,34-diethyl ester58393-76-3
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Calcium ionophore
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