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Substance Name: RO-23-9424 dihydrochloride
RN: 139263-69-7
UNII: PL877312XZ
InChIKey: DSGXXSRGPIYUHF-ZVOUVGCISA-N

Molecular Formula

  • C31-H31-F3-N8-O8-S2.2Cl-H

Molecular Weight

  • 837.6817
 
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Names and Synonyms

Name of Substance

  • RO-23-9424 dihydrochloride

Synonym

  • UNII-PL877312XZ

Registry Numbers

CAS Registry Number

  • 139263-69-7

FDA UNII

  • PL877312XZ

System Generated Number

  • 0139263697

Structure Descriptors

InChI

1S/C31H31F3N8O8S2.2ClH/c1-39-5-7-40(8-6-39)24-17(33)9-15-23(19(24)34)41(4-3-32)10-16(25(15)43)30(48)50-11-14-12-51-28-21(27(45)42(28)22(14)29(46)47)37-26(44)20(38-49-2)18-13-52-31(35)36-18;;/h9-10,13,21,28H,3-8,11-12H2,1-2H3,(H2,35,36)(H,37,44)(H,46,47);2*1H/b38-20-;;/t21-,28-;;/m1../s1

InChIKey

DSGXXSRGPIYUHF-ZVOUVGCISA-N

Smiles

CN1CCN(CC1)c2c(cc3c(c2F)n(cc(c3=O)C(=O)OCC4=C(N5[C@@H]([C@@H](C5=O)NC(=O)/C(=N\OC)/c6csc(n6)N)SC4)C(=O)O)CCF)F.Cl.Cl