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Substance Name: DN 9550
RN: 96902-44-2
InChIKey: TWWPEDVUDACLOH-NZGAOPNBSA-N

Molecular Weight

  • 577.044
 
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Names and Synonyms

Name of Substance

  • DN 9550

Synonyms

  • 7-(2-(2-Aminothiazol-4-yl)-2-(1H-imidazol-4-yl)methoxyiminoacetamido)-3-((1-pyridinio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate hcl
  • DN-9550

Systematic Name

  • Pyridinium, 1-((7-(((2-amino-4-thiazolyl)((1H-imidazol-4-ylmethoxy)imino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-, hydroxide, inner salt, monohydrochloride, (6R-(6alpha,7beta(Z)))-

Registry Numbers

CAS Registry Number

  • 96902-44-2

System Generated Number

  • 0096902442

Structure Descriptors

InChI

1S/C22H20N8O5S2.ClH/c23-22-26-14(10-37-22)15(28-35-8-13-6-24-11-25-13)18(31)27-16-19(32)30-17(21(33)34)12(9-36-20(16)30)7-29-4-2-1-3-5-29;/h1-6,10-11,16,20H,7-9H2,(H4-,23,24,25,26,27,31,33,34);1H/b28-15-;/t16-,20-;/m1./s1

InChIKey

TWWPEDVUDACLOH-NZGAOPNBSA-N

Smiles

n1c[nH]c(CO\N=C(\c2nc(sc2)N)C(=O)N[C@@H]2C(=O)N3C(=C(CS[C@H]23)C[n+]2ccccc2)C(O)=O)c1.[ClH-]