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Substance Name: EINECS 304-129-6
RN: 94237-33-9
InChIKey: CBMIUTGJPQBPAV-OZJKAIRQSA-N

Molecular Formula

  • C28-H40-F-N-O6.Cl-H

Molecular Weight

  • 542.0839
 
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Names and Synonyms

Results Name

  • EINECS 304-129-6

Synonym

  • EINECS 304-129-6

Systematic Name

  • (11beta,16beta)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl N,N-diethylaminoacetate hydrochloride

Registry Numbers

CAS Registry Number

  • 94237-33-9

System Generated Number

  • 0094237339

Molecular Formulas

Molecular Formula

  • C28-H40-F-N-O6.Cl-H

Molecular Formula Fragments

  • C28-H40-F-N-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C28H40FNO6.ClH/c1-6-30(7-2)15-24(34)36-16-23(33)28(35)17(3)12-21-20-9-8-18-13-19(31)10-11-25(18,4)27(20,29)22(32)14-26(21,28)5;/h10-11,13,17,20-22,32,35H,6-9,12,14-16H2,1-5H3;1H/t17-,20-,21-,22-,25-,26-,27-,28-;/m0./s1

InChIKey

CBMIUTGJPQBPAV-OZJKAIRQSA-N

Smiles

Cl.CCN(CC)CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C