acrivastine (CHEBI:83168)

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CHEBI:83168 - acrivastine

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ChEBI ID	CHEBI:83168
ChEBI Name	acrivastine
Stars
Definition	A member of the class of pyridines that is (pyridin-2-yl)acrylic acid substituted at position 6 by a [(1E)-1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl group. It is a non-sedating antihistamine used for treatment of hayfever, urticaria, and rhinitis.
Last Modified	22 February 2017
Submitter	tmorrison
Downloads	Molfile

Formula	C22H24N2O2
Net Charge	0
Average Mass	348.446
Monoisotopic Mass	348.18378
SMILES	Cc1ccc(/C(=C\CN2CCCC2)c2cccc(/C=C/C(=O)O)n2)cc1
InChI	InChI=1S/C22H24N2O2/c1-17-7-9-18(10-8-17)20(13-16-24-14-2-3-15-24)21-6-4-5-19(23-21)11-12-22(25)26/h4-13H,2-3,14-16H2,1H3,(H,25,26)/b12-11+,20-13+
InChIKey	PWACSDKDOHSSQD-IUTFFREVSA-N

Wikipedia

Roles Classification

Chemical Roles:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:	H1-receptor antagonist H₁-receptor antagonists are the drugs that selectively bind to but do not activate histamine H₁ receptors, thereby blocking the actions of endogenous histamine.
Application:	H1-receptor antagonist H₁-receptor antagonists are the drugs that selectively bind to but do not activate histamine H₁ receptors, thereby blocking the actions of endogenous histamine.

ChEBI Ontology

Outgoing Relation(s)
	acrivastine (CHEBI:83168) has role H₁-receptor antagonist (CHEBI:37955)
	acrivastine (CHEBI:83168) is a N-alkylpyrrolidine (CHEBI:46775)
	acrivastine (CHEBI:83168) is a olefinic compound (CHEBI:78840)
	acrivastine (CHEBI:83168) is a pyridines (CHEBI:26421)
	acrivastine (CHEBI:83168) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)

IUPAC Name
(2E)-3-{6-[(1E)-1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl]pyridin-2-yl}acrylic acid

INNs	Source
acrivastine	KEGG DRUG
acrivastina	ChemIDplus
acrivastinum	ChemIDplus
acrivastine	ChemIDplus

Synonyms	Source
BW A825C	ChemIDplus
(E)-6-((E)-3-(1-Pyrrolidinyl)-1-p-tolylpropenyl)-2-pyridineacrylic acid	ChemIDplus
BW 825C	ChemIDplus

Manual Xrefs	Databases
D02760	KEGG DRUG
Acrivastine	Wikipedia
82	DrugCentral

Registry Numbers	Sources
Reaxys:6739893	Reaxys
CAS:87848-99-5	KEGG DRUG
CAS:87848-99-5	ChemIDplus

Citations