Danoprevir sodium salt supplier

Name
4-Fluoro-1,3-dihydro-2H-isoindole-2-carboxylic acid (2R,6S,12Z,13aS,14aR,16aS)-14a-[[(cyclopropylsulfonyl)amino]carbonyl]-6-[[(1,1-dimethylethoxy)carbonyl]amino]-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydro-5,16-dioxocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl ester sodium salt
EINECS
CAS No. 916826-48-7
Density
Solubility
Melting Point
Formula C₃₅H₄₅FN₅O₉S.Na
Boiling Point
Molecular Weight 753.82
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Fluoro-1,3-dihydro-2H-isoindole-2-carboxylic acid (2R,6S,12Z,13aS,14aR,16aS)-14a-[[(cyclopropylsulfonyl)amino]carbonyl]-6-[[(1,1-dimethylethoxy)carbonyl]amino]-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydro-5,16-dioxocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl ester sodium salt;
PSA 188.90000
LogP 5.21150

Danoprevir sodium salt Specification

This chemical is called Danoprevir sodium salt, and it's also named as 4-Fluoro-1,3-dihydro-2H-isoindole-2-carboxylic acid (2R,6S,12Z,13aS,14aR,16aS)-14a-[[(cyclopropylsulfonyl)amino]carbonyl]-6-[[(1,1-dimethylethoxy)carbonyl]amino]-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydro-5,16-dioxocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl ester sodium salt. With the molecular formula of C₃₅H₄₅FN₅O₉S.Na, its molecular weight is 753.82. The CAS registry number of this chemical is 916826-48-7.

You can still convert the following datas into molecular structure:
1.InChI: InChI=1/C35H46FN5O9S.Na.H/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,(H,37,45)(H,38,42)(H,39,44);;/b11-7-;;/t22-,23-,27?,28+,35-;;/m1../s1/rC35H46FN5O9S.HNa/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,(H,37,45)(H,38,42)(H,39,44);1H/b11-7-;/t22-,23-,27?,28+,35-;/m1./s1
2.Smiles: C1(=O)N2[C@H](C(=O)N[C@]3([C@@H](C=CCCCCCC1NC(=O)OC(C)(C)C)C3)C(=O)NS(=O)(=O)C1CC1)C[C@H](C2)OC(=O)N1Cc2c(C1)cccc2F.[Na]

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Danoprevir sodium salt Specification

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