Chemical Compound

DTXSID90273988

CAS Registry Number 98349-91-8
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DTXSID90273988 chemical structure
Primary Record

DTXSID90273988

In stock
4,470 g
Purity
98.6 %
CAS
98349-91-8

Compound Identifiers & Properties

CAS
98349-91-8
PubChem CID
138394126
SMILES
CC1=C(C=C(C(=C1Br)O)C(C)C)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C(=C(C(=C4)C(C)C)O)Br)C.C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)[O-]
Canonical SMILES
C[N+]1([O-])[C@@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12.Cc1c(C2(c3cc(C(C)C)c(O)c(Br)c3C)OS(=O)(=O)c3ccccc32)cc(C(C)C)c(O)c1Br

Names & Synonyms

  • DTXSID90273988
  • Scopolamine N-oxide compd. with bromthymol blue (1:1)
  • (1R,2R,4S,5S,7s)-9-Methyl-9-oxo-3-oxa-9lambda~5~-azatricyclo[3.3.1.0~2,4~]nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate--3,3-bis[3-bromo-4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-2,1lambda~6~-benzoxathiole-1,1(3H)-dione (1/1)
  • 98349-91-8