danoprevir sodium (CHEBI:754787)

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CHEBI:754787 - danoprevir sodium

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ChEBI ID	CHEBI:754787
ChEBI Name	danoprevir sodium
Stars
Last Modified	29 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	C35H45FN5O9S.Na
Net Charge	0
Average Mass	753.826
Monoisotopic Mass	753.28197
SMILES	[H][C@@]12C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)CCCCC/C=C\[C@]1([H])C[C@@]1(C(=O)[N-]S(=O)(=O)C1CC1)NC2=O.[Na+]
InChI	InChI=1S/C35H46FN5O9S.Na/c1-34(2,3)50-32(45)37-27-13-8-6-4-5-7-11-22-17-35(22,31(44)39-51(47,48)24-14-15-24)38-29(42)28-16-23(19-41(28)30(27)43)49-33(46)40-18-21-10-9-12-26(36)25(21)20-40;/h7,9-12,22-24,27-28H,4-6,8,13-20H2,1-3H3,(H3,37,38,39,42,44,45);/q;+1/p-1/b11-7-;/t22-,23-,27+,28+,35-;/m1./s1
InChIKey	GXYYUDQAGCVAGJ-HHGSPMIASA-M

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	danoprevir sodium (CHEBI:754787) is a cyclic peptide (CHEBI:23449)

Synonyms	Source
Danoprevir sodium	ChEMBL
ITMN-191	ChEMBL
R-7227	ChEMBL
R7227	ChEMBL
RO-5190591-001	ChEMBL
RO5190591-001	ChEMBL

Citations