ST 7092
Basic information
- CAS
54-02-4- Standard SMILES
COc1cc(C(=O)OCCCN2CCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC- InChIKey
MOCOKCQYOSGWMM-UHFFFAOYSA-N- Molecular formula
- C30H42N2O10
- Average molar mass
- 590.7 g/mol
- Monoisotopic mass
- 590.28394554
Overview
nucleoside transport inhibitor; structure given in first source
Names & identifiers
- Preferred name
- ST 7092
- IUPAC
- 3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]piperazin-1-yl]propyl 3,4,5-trimethoxybenzoate
Names & synonyms
54-02-4ST 7092ST-7092DTXSID60202301Benzoic acid, 3,4,5-trimethoxy-, 1,4-piperazinediyldi-3,1-propanediyl esterRefChem:185237DTXCID201247923-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]piperazin-1-yl]propyl 3,4,5-trimethoxybenzoateCHEMBL3353070BRD-K63744307-001-01-0(Piperazine-1,4-diyl)di(propane-3,1-diyl) bis(3,4,5-trimethoxybenzoate)
Database identifiers
- CAS
54-02-4- PubChem CID
- 65519
- DTXSID
DTXSID60202301- ChEMBL
CHEMBL3353070
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 18
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 704
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Related reactions
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Compound notes
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