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Substance Name: Ceftolozane sulfate [USAN]
RN: 936111-69-2
UNII: 7R247U84HY
InChIKey: UJDQGRLTPBVSFN-TVNHLQOTSA-N

Classification Code

  • Antibiotic

Molecular Formulas

  • C23-H31-N12-O8-S2(+).H-O4-S(-)
  • C23-H31-N12-O8-S2.H-O4-S

Molecular Weight

  • 764.7758
 
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Names and Synonyms

Name of Substance

  • Ceftolozane sulfate [USAN]
  • FR 264205

Synonyms

  • 5-Amino-4-(((2-aminoethyl)carbamoyl)amino)-2-(((6R,7R)-7-(((2Z)-2-(5-amino-1,2,4- thiadiazol-3-yl)-2-((1-carboxy-1-methylethoxy)imino)acetyl)amino)-2-carboxy-8-oxo-5- thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-1-methyl-1H-pyrazolium monosulfate
  • Ceftolozane sulfate
  • CXA 101
  • CXA-101
  • CXA-101 (for sulfate)
  • FR 264205
  • FR264205
  • UNII-7R247U84HY

Systematic Name

  • 1H-Pyrazolium, 5-amino-4-((((2-aminoethyl)amino)carbonyl)amino)-2-(((6R,7R)-7-(((2Z)- 2-(5-amino-1,2,4-thiadiazol-3-yl)-2-((1-carboxy-1-methylethoxy)imino)acetyl)amino)-2- carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-1-methyl-, sulfate (1:1)

Registry Numbers

CAS Registry Number

  • 936111-69-2

FDA UNII

  • 7R247U84HY

System Generated Number

  • 0936111692

Molecular Formulas

Molecular Formulas

  • C23-H31-N12-O8-S2(+).H-O4-S(-)
  • C23-H31-N12-O8-S2.H-O4-S

Molecular Formula Fragments

  • C23-H31-N12-O8-S2
  • COMPONENT
  • H-O4-S

Structure Descriptors

InChI

1S/C23H30N12O8S2.H2O4S/c1-23(2,20(40)41)43-31-11(15-30-21(26)45-32-15)16(36)29-12-17(37)35-13(19(38)39)9(8-44-18(12)35)6-34-7-10(14(25)33(34)3)28-22(42)27-5-4-24;1-5(2,3)4/h7,12,18,25H,4-6,8,24H2,1-3H3,(H7,26,27,28,29,30,32,36,38,39,40,41,42);(H2,1,2,3,4)/b31-11-;/t12-,18-;/m1./s1

InChIKey

UJDQGRLTPBVSFN-TVNHLQOTSA-N

Smiles

Cn1c(N)c(NC(=O)NCCN)c[n+]1CC2=C(N3[C@H](SC2)[C@H](NC(=O)\C(=N/OC(C)(C)C(=O)O)\c4nsc(N)n4)C3=O)C(=O)O.OS(=O)(=O)[O-]