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English
EA-4057
chemical compound
[3-(dimethylcarbamoyloxy)pyridin-2-yl]methyl-[11-[[3-(dimethylcarbamoyloxy)pyridin-2-yl]methyl-dimethylazaniumyl]undecyl]-dimethylazanium;dibromide
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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chemical structure
EA-4057 chemical structure.png
689 × 213; 7 KB
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mass
758.272978472
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₃H₅₆Br₂N₆O₄
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based on heuristic
inferred from SMILES
canonical SMILES
[Br-].[Br-].O=C(OC1=CC=CN=C1C[N+](C)(C)CCCCCCCCCCC[N+](C)(C)CC2=NC=CC=C2OC(=O)N(C)C)N(C)C
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Identifiers
InChI
InChI=1S/C33H56N6O4.2BrH/c1-36(2)32(40)42-30-20-18-22-34-28(30)26-38(5,6)24-16-14-12-10-9-11-13-15-17-25-39(7,8)27-29-31(21-19-23-35-29)43-33(41)37(3)4;;/h18-23H,9-17,24-27H2,1-8H3;2*1H/q+2;;/p-2
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InChIKey
UCHRNQOHYBBRCB-UHFFFAOYSA-L
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CAS Registry Number
110913-98-9
1 reference
stated in
SciFinder
PubChem CID
13955113
reason for deprecated rank
withdrawn identifier value
1 reference
matched by identifier from
InChIKey
InChIKey
UCHRNQOHYBBRCB-UHFFFAOYSA-L
Google Knowledge Graph ID
/g/11hd1s3zk9
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EA-4057
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