N-butyl-N-(3-carboxypropyl)nitrosamine (CHEBI:91112)

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ChEBI Name	N-butyl-N-(3-carboxypropyl)nitrosamine

ChEBI ID	CHEBI:91112

ChEBI ASCII Name	N-butyl-N-(3-carboxypropyl)nitrosamine

Definition	A nitrosamine that has butyl and 4-carboxybutyl substituents. It is the principal metabolite of the bladder carcinogen N-butyl-N-(4-hydroxybutyl)nitrosamine (BHBN-4).

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C8H16N2O3

Net Charge

Average Mass

188.225

Monoisotopic Mass

188.11609

InChI

InChI=1S/C8H16N2O3/c1-2-3-6-10(9-13)7-4-5-8(11)12/h2-7H2,1H3,(H,11,12)

InChIKey

OAAQPYUFAOHUMT-UHFFFAOYSA-N

SMILES

C(=O)(O)CCCN(CCCC)N=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	carcinogenic agent A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.

ChEBI Ontology
Outgoing	N-butyl-N-(3-carboxypropyl)nitrosamine (CHEBI:91112) has functional parent N-butyl-N-(4-hydroxybutyl)nitrosamine (CHEBI:91275) N-butyl-N-(3-carboxypropyl)nitrosamine (CHEBI:91112) has role carcinogenic agent (CHEBI:50903) N-butyl-N-(3-carboxypropyl)nitrosamine (CHEBI:91112) is a monocarboxylic acid (CHEBI:25384) N-butyl-N-(3-carboxypropyl)nitrosamine (CHEBI:91112) is a nitrosamine (CHEBI:35803)

IUPAC Name

4-[butyl(nitroso)amino]butanoic acid

Synonyms	Sources
4-(butylnitrosoamino)butanoic acid	ChemIDplus
4-(N-butyl-N-nitrosamino)butyric acid	ChEBI
BCN	ChEBI
BCPN	ChemIDplus
BRN 2257968	ChemIDplus
butyl(3-carboxypropyl)nitrosamine	ChemIDplus
N-butyl-(3-carboxypropyl)nitrosamine	ChemIDplus
N-nitroso-N-butyl-N-(3-carboxypropyl)amine	ChemIDplus
N-nitrosobutylcarboxypropylamine	ChemIDplus

Last Modified

21 February 2016