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Substance Name: Quinacillin sulfone
RN: 76788-82-4
InChIKey: VTNDHSZKSSVBGD-TYNCELHUSA-N

Molecular Formula

  • C18-H16-N4-O8-S

Molecular Weight

  • 448.4104
 
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Names and Synonyms

Name of Substance

  • Quinacillin sulfone

Synonym

  • Quinacillin sulphone

Systematic Name

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((3-carboxy-2-quinoxalinyl)carbonyl)amino)-3,3-dimethyl-7-oxo-, 4,4-dioxide, (2S-(2alpha,5alpha,6beta))-

Registry Numbers

CAS Registry Number

  • 76788-82-4

System Generated Number

  • 0076788824

Structure Descriptors

InChI

1S/C18H16N4O8S/c1-18(2)12(17(27)28)22-14(24)11(15(22)31(18,29)30)21-13(23)9-10(16(25)26)20-8-6-4-3-5-7(8)19-9/h3-6,11-12,15H,1-2H3,(H,21,23)(H,25,26)(H,27,28)/t11-,12+,15-/m1/s1

InChIKey

VTNDHSZKSSVBGD-TYNCELHUSA-N

Smiles

CC1(C)[C@@H](N2[C@@H]([C@H](NC(=O)c3nc4ccccc4nc3C(=O)O)C2=O)S1(=O)=O)C(=O)O