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Substance Name: Pyridinium 3-methoxyestra-1,3,5(10)-trien-6-yl sulfate
RN: 134223-97-5
InChIKey: YHPPWIAASWYKDY-SHJJMTSZSA-N

Molecular Formula

  • C19-H26-O5-S.C5-H5-N

Molecular Weight

  • 445.577
 
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Names and Synonyms

Name of Substance

  • Pyridinium 3-methoxyestra-1,3,5(10)-trien-6-yl sulfate

Synonyms

  • (6alpha)-3-Methoxyestra-1,3,5(10)-trien-6-ol hydrogen sulfate compd. with pyridine (1:1)
  • PMTS

Systematic Name

  • Estra-1,3,5(10)-trien-6-ol, 3-methoxy-, hydrogen sulfate, (6alpha)-, compd. with pyridine (1:1)

Registry Numbers

CAS Registry Number

  • 134223-97-5

System Generated Number

  • 0134223975

Molecular Formulas

Molecular Formula

  • C19-H26-O5-S.C5-H5-N

Molecular Formula Fragments

  • C19-H26-O5-S
  • C5-H5-N
  • COMPONENT

Structure Descriptors

InChI

1S/C19H26O5S.C5H5N/c1-19-8-3-4-17(19)15-11-18(24-25(20,21)22)16-10-12(23-2)5-6-13(16)14(15)7-9-19;1-2-4-6-5-3-1/h5-6,10,14-15,17-18H,3-4,7-9,11H2,1-2H3,(H,20,21,22);1-5H/t14?,15?,17?,18?,19-;/m0./s1

InChIKey

YHPPWIAASWYKDY-SHJJMTSZSA-N

Smiles

c1cccc[n+]1.S(=O)(=O)(O[C@@H]1c2cc(ccc2[C@@H]2CC[C@@]3(CCC[C@@H]3[C@@H]2C1)C)OC)[O-]