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Substance Name: CS 461
RN: 115948-58-8
InChIKey: WNNXOUAREUXOEN-CZFAVYDOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C20-H23-N6-O6-S3.H-O4-S
  • C20-H23-N6-O6-S3.H2-O4-S

Molecular Weight

  • 636.7056
 
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Names and Synonyms

Name of Substance

  • CS 461

Synonym

  • CS-461

Systematic Names

  • Thiazolium, 3-((7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-5-(2-hydroxyethyl)-4-methyl-, (6R-(6-alpha,7-beta(Z)))-, sulfate (1:1) (salt)
  • Thiazolium, 3-((7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-2-en-3-yl)methyl)-5-(2-hydroxyethyl)-4-methyl-, (6R-(6alpha,7beta(Z)))-, sulfate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 115948-58-8

Other Registry Numbers

  • 128401-50-3
  • 134102-27-5

System Generated Number

  • 0115948588

Molecular Formulas

Molecular Formulas

  • C20-H23-N6-O6-S3.H-O4-S
  • C20-H23-N6-O6-S3.H2-O4-S

Molecular Formula Fragments

  • C20-H23-N6-O6-S3
  • COMPONENT
  • H-O4-S
  • H2-O4-S

Structure Descriptors

InChI

1S/C20H22N6O6S3.H2O4S/c1-9-12(3-4-27)35-8-25(9)5-10-6-33-18-14(17(29)26(18)15(10)19(30)31)23-16(28)13(24-32-2)11-7-34-20(21)22-11;1-5(2,3)4/h7-8,14,18,27H,3-6H2,1-2H3,(H3-,21,22,23,28,30,31);(H2,1,2,3,4)/b24-13+;/t14-,18-;/m1./s1

InChIKey

WNNXOUAREUXOEN-CZFAVYDOSA-N

Smiles

CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)C[n+]3csc(CCO)c3C)/c4csc(N)n4.OS(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intravenous > 3gm/kg (3000mg/kg)   Journal of Antibiotics. Vol. 44, Pg. 864, 1991.