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Substance Name: Formadicin B disodium dihydrate
RN: 104265-79-4
InChIKey: YOGLIMSWBXRJIC-QYGYCOLVSA-K

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H32-N4-O15.2Na.2H2-O

Molecular Weight

  • 792.5875
 
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Names and Synonyms

Results Name

  • Formadicin B disodium dihydrate

Synonyms

  • Antibiotic TAN 585B disodium dihydrate
  • Formadicin B disodium dihydrate

Systematic Name

  • beta-D-Glucopyranosiduronic acid, 4-((3-(((4-(3-amino-3-carboxypropoxy)phenyl)(formylamino)acetyl)amino)-2-oxo-1-azetidinyl)carboxymethyl)phenyl, sodium salt, hydrate (1:2:2), (3S-(1(S*),3R*(S*(S*))))-

Registry Numbers

CAS Registry Number

  • 104265-79-4

System Generated Number

  • 0104265794

Molecular Formulas

Molecular Formula

  • C30-H32-N4-O15.2Na.2H2-O

Molecular Formula Fragments

  • C30-H32-N4-O15
  • COMPONENT
  • H2-O
  • Na

Structure Descriptors

InChI

1S/C30H34N4O15.3Na.2H2O/c31-17(27(41)42)9-10-48-16-7-3-13(4-8-16)19(32-12-35)25(39)33-18-11-34(26(18)40)20(28(43)44)14-1-5-15(6-2-14)30(47)24(38)22(37)21(36)23(49-30)29(45)46;;;;;/h1-8,12,17-24,36-38,47H,9-11,31H2,(H,32,35)(H,33,39)(H,41,42)(H,43,44)(H,45,46);;;;2*1H2/q;3*+1;;/p-3/t17?,18-,19?,20-,21+,22+,23+,24-,30-;;;;;/m1...../s1

InChIKey

YOGLIMSWBXRJIC-QYGYCOLVSA-K

Smiles

c1cc(ccc1[C@H](C(=O)[O-])N2C[C@H](C2=O)NC(=O)C(c3ccc(cc3)OCCC(C(=O)[O-])N)NC=O)[C@@]4([C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O)O.O.O.[Na+].[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.