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Substance Name: Novobiocin, dihydro-, sodium salt
RN: 4627-98-9
InChIKey: FGGFXNNDWQITFC-RNROJPEYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H38-N2-O11.Na

Molecular Weight

  • 636.6263
 
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Names and Synonyms

Synonym

  • Dihydronovobiocin sodium salt

Systematic Names

  • Novobiocin, dihydro-, monosodium salt
  • Novobiocin, dihydro-, sodium salt

Registry Numbers

CAS Registry Number

  • 4627-98-9

System Generated Number

  • 0004627989

Molecular Formulas

Molecular Formula

  • C31-H38-N2-O11.Na

Molecular Formula Fragments

  • C31-H38-N2-O11
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C31H38N2O11.Na/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29;/h9-14,23,25-26,29,34-36H,7-8H2,1-6H3,(H2,32,39)(H,33,37);/q;+1/p-1/t23-,25+,26-,29-;/m1./s1

InChIKey

FGGFXNNDWQITFC-RNROJPEYSA-M

Smiles

[Na+].CO[C@@H]1[C@@H](OC(=O)N)[C@@H](O)[C@H](Oc2ccc3C(=C(NC(=O)c4ccc(O)c(CCC(C)C)c4)C(=O)Oc3c2C)[O-])OC1(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 325mg/kg (325mg/kg)   Farmaco, Edizione Scientifica. Vol. 11, Pg. 549, 1956.
mouse LD50 oral 1100mg/kg (1100mg/kg)   Farmaco, Edizione Scientifica. Vol. 11, Pg. 549, 1956.