(2R,3R,4R,5S)-6-[2-({2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]ethyl}(ethyl)amino)ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:143438)

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CHEBI:143438 - (2R,3R,4R,5S)-6-[2-({2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]ethyl}(ethyl)amino)ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI ID	CHEBI:143438
ChEBI Name	(2R,3R,4R,5S)-6-[2-({2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]ethyl}(ethyl)amino)ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
Submitter	mwilliams
Downloads	Molfile

Formula	C27H31ClFN3O8
Net Charge	0
Average Mass	580.009
Monoisotopic Mass	579.17837
SMILES	CCN(CCOC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)CCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21
InChI	InChI=1S/C27H31ClFN3O8/c1-2-31(11-12-39-27-24(36)22(34)23(35)25(40-27)26(37)38)9-10-32-19-8-7-15(28)13-17(19)21(30-14-20(32)33)16-5-3-4-6-18(16)29/h3-8,13,22-25,27,34-36H,2,9-12,14H2,1H3,(H,37,38)/t22-,23-,24+,25-,27?/m0/s1
InChIKey	JLTAVYMIPYIVSP-XOEMIVIESA-N

Roles Classification

Biological Role:

GABA modulator A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act.

Application:

ChEBI Ontology

Outgoing Relation(s)
	(2R,3R,4R,5S)-6-[2-({2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]ethyl}(ethyl)amino)ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:143438) is a benzodiazepine (CHEBI:22720)