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CAS 88704-50-1

:

(1S,13bS)-1-Amino-11-bromo-1,2,7,8,13,13b-hexahydro[1,6,2]oxathiazepino[2′,3′:1,2]pyrido[3,4-b]indol-10-ol

Description:
The chemical substance known as (1S,13bS)-1-Amino-11-bromo-1,2,7,8,13,13b-hexahydro[1,6,2]oxathiazepino[2′,3′:1,2]pyrido[3,4-b]indol-10-ol, with the CAS number 88704-50-1, is a complex organic compound characterized by its unique bicyclic structure that incorporates both oxathiazepine and indole moieties. This compound features multiple functional groups, including an amino group and a bromo substituent, which contribute to its reactivity and potential biological activity. The stereochemistry indicated by the (1S,13bS) configuration suggests specific spatial arrangements of atoms that may influence its interactions in biological systems. The presence of heteroatoms such as nitrogen and sulfur within its structure may also impart distinctive properties, including solubility and binding affinity to various biological targets. Such compounds are often of interest in medicinal chemistry for their potential therapeutic applications, particularly in the development of novel pharmaceuticals. However, detailed studies on its pharmacological properties and mechanisms of action would be necessary to fully understand its utility in drug development.
Formula:C14H16BrN3O2S
InChI:InChI=1S/C14H16BrN3O2S/c15-9-4-11-8(3-12(9)19)7-1-2-18-14(13(7)17-11)10(16)5-21-6-20-18/h3-4,10,14,17,19H,1-2,5-6,16H2/t10-,14+/m1/s1
InChI key:InChIKey=XHYJPORPMFTSBP-YGRLFVJLSA-N
SMILES:N[C@H]1[C@]2(C3=C(C=4C(N3)=CC(Br)=C(O)C4)CCN2OCSC1)[H]
Synonyms:
  • [1,6,2]Oxathiazepino[2′,3′:1,2]pyrido[3,4-b]indol-10-ol, 1-amino-11-bromo-1,2,7,8,13,13b-hexahydro-, (1S,13bS)-
  • Eudistomine C
  • Eudistomin C
  • (1S,13bS)-1-Amino-11-bromo-1,2,7,8,13,13b-hexahydro[1,6,2]oxathiazepino[2′,3′:1,2]pyrido[3,4-b]indol-10-ol
  • [1,6,2]Oxathiazepino[2′,3′:1,2]pyrido[3,4-b]indol-10-ol, 1-amino-11-bromo-1,2,7,8,13,13b-hexahydro-, (1S-trans)-
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