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Substance Name: Magnapen
RN: 56749-84-9
InChIKey: MRHKOEQOYWPVKY-LGHZNYKCSA-N

Note

  • Low levels in bones after intramuscular administration in hip replacement.

Molecular Formula

  • C16-H19-N3-O4-S.C19-H17-Cl-F-N3-O5-S

Molecular Weight

  • 803.2854
 
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Names and Synonyms

Name of Substance

  • Magnapen

Systematic Name

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((aminophenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2S-(2alpha,5alpha,6beta(S*)))-, mixt. with (2S-(2alpha,5alpha,6beta))-6-(((3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid

Registry Numbers

CAS Registry Number

  • 56749-84-9

System Generated Number

  • 0056749849

Molecular Formulas

Molecular Formula

  • C16-H19-N3-O4-S.C19-H17-Cl-F-N3-O5-S

Molecular Formula Fragments

  • C16-H19-N3-O4-S
  • C19-H17-Cl-F-N3-O5-S
  • COMPONENT

Structure Descriptors

InChI

InChI=1S/C19H17ClFN3O5S.C16H19N3O4S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t13-,14+,17-;9-,10+,11-,14+/m10/s1

InChIKey

MRHKOEQOYWPVKY-LGHZNYKCSA-N

Smiles

Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4c(F)cccc4Cl.CC5(C)S[C@@H]6[C@H](NC(=O)[C@@H](N)c7ccccc7)C(=O)N6[C@H]5C(=O)O