Etomoxir-coa

Modify Date: 2025-09-30 08:22:41

Etomoxir-coa Structure
Etomoxir-coa structure
Common Name Etomoxir-coa
CAS Number 124122-91-4 Molecular Weight 1048.28000
Density 1.73g/cm3 Boiling Point N/A
Molecular Formula C36H53ClN7O19P3S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carbothioate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.73g/cm3
Molecular Formula C36H53ClN7O19P3S
Molecular Weight 1048.28000
Exact Mass 1047.20000
PSA 447.10000
LogP 4.37840
Index of Refraction 1.687
InChIKey PHKBJONFUQOLOD-GRQKGNIFSA-N
SMILES CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCSC(=O)C1(CCCCCCOc2ccc(Cl)cc2)CO1

 Synonyms

Coenzyme A,etomoxiryl
Etomoxiryl-coa
Etomoxiryl-coenzyme A
Etomoxir-coa
Coenzyme A,S-(2-(6-(4-chlorophenoxy)hexyl)oxiranecarboxylate)
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