Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Antibiotic A130 sodium salt
RN: 58399-44-3
InChIKey: SLTQRBSNSQCBNO-GZEIRFRYSA-M

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C47-H77-O13.Na

Molecular Weight

  • 873.1023
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • Antibiotic A130 sodium salt

Synonym

  • Antibiotic A-130, sodium salt

Systematic Name

  • Dianemycin, 10-demethyl-19-de((tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)oxy)-12-methyl-11-O-(tetrahydro-5-methoxy-6-methyl-2H-pyran-2-yl)-, monosodium salt, (11(2R,5S,6R),12R)-

Registry Numbers

CAS Registry Number

  • 58399-44-3

Other Registry Number

  • 58339-29-0

Related Registry Number

  • 51257-84-2 (Parent)

System Generated Number

  • 0058399443

Molecular Formulas

Molecular Formula

  • C47-H77-O13.Na

Molecular Formula Fragments

  • C47-H77-O13
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C47H78O13.Na/c1-25(19-26(2)41(49)27(3)20-29(5)43(50)51)36-23-37(55-40-16-14-35(53-12)34(10)54-40)33(9)46(56-36)18-17-44(11,60-46)39-15-13-30(6)47(58-39)32(8)22-38(57-47)42-28(4)21-31(7)45(52,24-48)59-42;/h19,25,27-40,42,48,52H,13-18,20-24H2,1-12H3,(H,50,51);/q;+1/p-1/b26-19+;/t25-,27+,28-,29-,30+,31+,32-,33+,34+,35-,36-,37+,38+,39+,40-,42-,44-,45-,46+,47?;/m0./s1

InChIKey

SLTQRBSNSQCBNO-GZEIRFRYSA-M

Smiles

C[C@@H]1CC[C@@H](OC12[C@H](C[C@@H](O2)[C@@H]3[C@H](C[C@H]([C@@](O3)(CO)O)C)C)C)[C@@]4(CC[C@@]5(O4)[C@@H]([C@@H](C[C@H](O5)[C@@H](C)/C=C(\C)/C(=O)[C@H](C)C[C@H](C)C(=O)[O-])O[C@H]6CC[C@@H]([C@H](O6)C)OC)C)C.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2500ug/kg (2.5mg/kg)   Journal of Antibiotics. Vol. 28, Pg. 931, 1975.
mouse LD50 subcutaneous 34300ug/kg (34.3mg/kg)   Journal of Antibiotics. Vol. 28, Pg. 931, 1975.