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Substance Name: 6-O-(4-bromobenzoyl)castanospermine
RN: 121104-83-4
InChIKey: YKVGGPPTQKVTHT-ODXJTPSBSA-N

Molecular Formula

  • C15-H18-Br-N-O5

Molecular Weight

  • 372.2132
 
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Names and Synonyms

Results Name

  • 6-O-(4-bromobenzoyl)castanospermine

Synonyms

  • Castanospermine, 6-O-(4-bromobenzoyl)-
  • MDL 44,370
  • MDL 44370

Systematic Name

  • Benzoic acid, 4-bromo-, octahydro-1,7,8-trihydroxy-6-indolizinyl ester, (1S-(1alpha,6beta,7alpha,8beta,8abeta))-

Registry Numbers

CAS Registry Number

  • 121104-83-4

System Generated Number

  • 0121104834

Structure Descriptors

InChI

1S/C15H18BrNO5/c16-9-3-1-8(2-4-9)15(21)22-11-7-17-6-5-10(18)12(17)14(20)13(11)19/h1-4,10-14,18-20H,5-7H2/t10-,11-,12+,13+,14+/m0/s1

InChIKey

YKVGGPPTQKVTHT-ODXJTPSBSA-N

Smiles

c1cc(ccc1C(=O)O[C@H]2CN3CC[C@@H]([C@@H]3[C@H]([C@@H]2O)O)O)Br