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Substance Name: Ellipravin
RN: 103461-20-7
InChIKey: KTIJOCQMWFYQBT-PKFNWUDMSA-N

Molecular Formula

  • C22-H23-Br-N2-O5

Molecular Weight

  • 475.337
 
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Names and Synonyms

  • Ellipravin

Registry Numbers

CAS Registry Number

  • 103461-20-7

System Generated Number

  • 0103461207

Structure Descriptors

InChI

1S/C22H22N2O5.BrH/c1-10-15-8-24(22-21(28)20(27)17(26)9-29-22)6-5-13(15)11(2)19-18(10)14-7-12(25)3-4-16(14)23-19;/h3-8,11,17,20-22,26-28H,9H2,1-2H3;1H/t11?,17-,20-,21+,22+;/m0./s1

InChIKey

KTIJOCQMWFYQBT-PKFNWUDMSA-N

Smiles

[BrH-].N1=C2[C@@H](c3c(C(=C2c2cc(ccc12)O)C)c[n+](cc3)[C@H]1[C@H](O)[C@@H](O)[C@@H](O)CO1)C