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Substance Name: Formadicin C sodium hemihydrate
RN: 101757-60-2
InChIKey: ZVUZBVQILVFDAJ-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H25-N4-O10.Na.1/2H2-O

Molecular Weight

  • 574.4516
 
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Names and Synonyms

Results Name

  • Formadicin C sodium hemihydrate

Synonyms

  • Antibiotic PA 42702A sodium hemihydrate
  • Antibiotic TAN 585C sodium hemihydrate
  • Formadicin C sodium hemihydrate

Systematic Name

  • 1-Azetidineacetic acid, 3-(((4-(3-amino-3-carboxypropoxy)phenyl)hydroxyacetyl)amino)-3-(formylamino)-alpha-(4-hydroxyphenyl)-2-oxo-, sodium salt, hydrate (2:2:1) (3S-(1(S*),3R*(S*(S*))))-

Registry Numbers

CAS Registry Number

  • 101757-60-2

System Generated Number

  • 0101757602

Molecular Formulas

Molecular Formula

  • C24-H25-N4-O10.Na.1/2H2-O

Molecular Formula Fragments

  • C24-H25-N4-O10
  • COMPONENT
  • H2-O
  • Na

Structure Descriptors

InChI

1S/C24H26N4O10.2Na/c25-17(21(33)34)9-10-38-16-7-3-14(4-8-16)19(31)20(32)27-24(26-12-29)11-28(23(24)37)18(22(35)36)13-1-5-15(30)6-2-13;;/h1-8,12,17-19,30-31H,9-11,25H2,(H,26,29)(H,27,32)(H,33,34)(H,35,36);;/q;2*+1/p-2

InChIKey

ZVUZBVQILVFDAJ-UHFFFAOYSA-L

Smiles

c1cc(ccc1C(C(=O)[O-])N2CC(C2=O)(NC=O)NC(=O)C(c3ccc(cc3)OCCC(C(=O)[O-])N)O)O.[Na+].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD subcutaneous > 1gm/kg (1000mg/kg)   Journal of Antibiotics. Vol. 38, Pg. 1128, 1985.