acetylsalicylic acid 4-nitroxybutylester (Q118113047)

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chemical compound

• 4-(nitrooxy)butyl 2-(acetyloxy)benzoate

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Language	Label	Description	Also known as
English	acetylsalicylic acid 4-nitroxybutylester	chemical compound	4-(nitrooxy)butyl 2-(acetyloxy)benzoate

Statements

instance of

type of chemical entity

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subclass of

chemical compound

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chemical structure

Aspirin nitroso butyl ester.svg
740 × 385; 24 KB

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mass

297.08485182 dalton

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based on heuristic

inferred from InChI

chemical formula

C₁₃H₁₅NO₇

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based on heuristic

inferred from SMILES

canonical SMILES

CC(=O)OC1=CC=CC=C1C(=O)OCCCCO[N+](=O)[O-]

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Identifiers

InChI

InChI=1S/C13H15NO7/c1-10(15)21-12-7-3-2-6-11(12)13(16)19-8-4-5-9-20-14(17)18/h2-3,6-7H,4-5,8-9H2,1H3

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InChIKey

YIIBICVDALWFPD-UHFFFAOYSA-N

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PubChem CID

9839177

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matched by identifier from

InChIKey

InChIKey

YIIBICVDALWFPD-UHFFFAOYSA-N

ChEMBL ID

CHEMBL3601280

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UniChem compound ID

32049980

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stated in

UniChem

DSSTox substance ID

DTXSID001278187

1 reference

matched by identifier from

InChIKey

InChIKey

YIIBICVDALWFPD-UHFFFAOYSA-N

 

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