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Substance Name: Ambruticin sodium
RN: 67999-78-4
InChIKey: MHOMOPVMSPELHZ-BKQRTEGSSA-M

Classification Codes

  • Antimycotic
  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C28-H41-O6.Na

Molecular Weight

  • 496.616
 
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Names and Synonyms

Results Name

  • Ambruticin sodium

Synonyms

  • Ambruticin sodium salt
  • Antibiotic acid S sodium salt
  • W7783 sodium salt

Systematic Name

  • 2H-Pyran-2-acetic acid, 6-(2-(2-(5-(6-ethyl-3,6-dihydro-5-methyl-2H-pyran-2-yl)-3-methyl-1,4-hexadienyl)-3-methylcyclopropyl)ethenyl)tetrahydro-4,5-dihydroxy-, monosodium salt

Registry Numbers

CAS Registry Number

  • 67999-78-4

Related Registry Number

  • 58857-02-6 (Parent)

System Generated Number

  • 0067999784

Molecular Formulas

Molecular Formula

  • C28-H41-O6.Na

Molecular Formula Fragments

  • C28-H41-O6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C28H42O6.Na/c1-6-24-17(3)8-11-25(34-24)18(4)13-16(2)7-9-21-19(5)22(21)10-12-26-28(32)23(29)14-20(33-26)15-27(30)31;/h7-10,12-13,16,19-26,28-29,32H,6,11,14-15H2,1-5H3,(H,30,31);/q;+1/p-1/b9-7+,12-10+,18-13+;/t16-,19-,20+,21+,22+,23+,24-,25-,26?,28-;/m1./s1

InChIKey

MHOMOPVMSPELHZ-BKQRTEGSSA-M

Smiles

C=1([C@H](O[C@H](CC1)C(\C)=C/[C@@H](\C=C\[C@@H]1[C@H](\C=C\[C@@H]2[C@@H]([C@H](C[C@H](O2)CC(=O)[O-])O)O)[C@@H]1C)C)CC)C.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 315mg/kg (315mg/kg)   Journal of Antibiotics. Vol. 30, Pg. 371, 1977.
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Antibiotics. Vol. 30, Pg. 371, 1977.