Calcium ionophore
Basic information
- CAS
58393-76-3- Standard SMILES
CCOC(=O)CCCCCCCCCCCN(C)C(=O)COC(C)C(C)OCC(=O)N(C)CCCCCCCCCCCC(=O)OCC- InChIKey
CJAONIOAQZUHPN-UHFFFAOYSA-N- Molecular formula
- C38H72N2O8
- Average molar mass
- 685 g/mol
- Monoisotopic mass
- 684.52886726
Names & identifiers
- Preferred name
- Calcium ionophore
- IUPAC
- ethyl 12-[[2-[3-[2-[(12-ethoxy-12-oxododecyl)-methylamino]-2-oxoethoxy]butan-2-yloxy]acetyl]-methylamino]dodecanoate
Names & synonyms
Calcium ionophoreSCHEMBL10525882DTXSID00138581958393-76-3ethyl 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 ester
Database identifiers
- CAS
58393-76-3- PubChem CID
- 2511
- DTXSID
DTXSID001385819
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 35
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 759
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Related reactions
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Compound notes
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