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380378-81-4 | 6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, 11-ETHYL-5,11-DIHYDRO-5-METHYL-8-[2-[(1-OXIDO-4-QUINOLINYL)OXY]ETHYL]-
CAS No: 380378-81-4 Catalog No: AG0076QJ MDL No:
Product Description
Catalog Number:
AG0076QJ
Chemical Name:
6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, 11-ETHYL-5,11-DIHYDRO-5-METHYL-8-[2-[(1-OXIDO-4-QUINOLINYL)OXY]ETHYL]-
CAS Number:
380378-81-4
Molecular Formula:
C25H23N5O3
Molecular Weight:
441.4818
IUPAC Name:
2-ethyl-9-methyl-13-[2-(1-oxidoquinolin-1-ium-4-yl)oxyethyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
InChI:
InChI=1S/C25H23N5O3/c1-3-29-23-19(25(31)28(2)21-9-6-12-26-24(21)29)15-17(16-27-23)11-14-33-22-10-13-30(32)20-8-5-4-7-18(20)22/h4-10,12-13,15-16H,3,11,14H2,1-2H3
InChI Key:
BEMBRAMZGVDPMH-UHFFFAOYSA-N
SMILES:
CCn1c2ncc(cc2c(=O)n(c2c1nccc2)C)CCOc1cc[n+](c2c1cccc2)[O-]
UNII:
V7T28EEE1C
Properties
Complexity:
680
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.18g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
441.491g/mol
Monoisotopic Mass:
441.18g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Metabolic switching of BILR 355 in the presence of ritonavir. I. Identifying an unexpected disproportionate human metabolite. | Drug metabolism and disposition: the biological fate of chemicals 20120601 |
| Metabolic switching of BILR 355 in the presence of ritonavir. II. Uncovering novel contributions by gut bacteria and aldehyde oxidase. | Drug metabolism and disposition: the biological fate of chemicals 20120601 |
| Evaluation of steady-state pharmacokinetic interactions between ritonavir-boosted BILR 355, a non-nucleoside reverse transcriptase inhibitor, and lamivudine/zidovudine in healthy subjects. | Journal of clinical pharmacy and therapeutics 20120201 |
| Coadministration with lopinavir and ritonavir decreases exposure to BILR 355, a nonnucleoside reverse transcriptase inhibitor, in healthy volunteers. | Journal of clinical pharmacology 20110701 |
| Concomitant administration of BILR 355/r with emtricitabine/tenofovir disoproxil fumarate increases exposure to emtricitabine and tenofovir: a randomized, open-label, prospective study. | Basic & clinical pharmacology & toxicology 20110301 |
| Evaluation of the impact of sodium lauryl sulfate source variability on solid oral dosage form development. | Drug development and industrial pharmacy 20101201 |
| Study and characterization of crystalline hydrate/polymorph forms of 5,11-dihydro-11-ethyl-5-methyl-8-(2-(1-oxido-4-quinolinyl)ethyl-6H-dipyrido(3,2-B:2',3'-E)(1,4)diazepin-6-one by solid-state NMR and solution NMR. | Journal of pharmaceutical and biomedical analysis 20100406 |
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