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Substance Name: Formadicin A disodium dihydrate
RN: 101757-61-3
InChIKey: VTGXXIZZNLGKRQ-LPULEAGDSA-K

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H32-N4-O16.2Na.2H2-O

Molecular Weight

  • 772.5569
 
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Names and Synonyms

Results Name

  • Formadicin A disodium dihydrate

Synonyms

  • Antibiotic PA 42702B disodium dihydrate
  • Antibiotic TAN 585A disodium dihydrate
  • Formadicin A disodium dihydrate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 101757-61-3

System Generated Number

  • 0101757613

Molecular Formulas

Molecular Formula

  • C30-H32-N4-O16.2Na.2H2-O

Molecular Formula Fragments

  • C30-H32-N4-O16
  • COMPONENT
  • H2-O
  • Na

Structure Descriptors

InChI

1S/C30H34N4O16.3Na/c31-17(25(41)42)9-10-49-16-7-3-14(4-8-16)19(36)24(40)33-29(32-12-35)11-34(28(29)47)18(26(43)44)13-1-5-15(6-2-13)30(48)23(39)21(38)20(37)22(50-30)27(45)46;;;/h1-8,12,17-23,36-39,48H,9-11,31H2,(H,32,35)(H,33,40)(H,41,42)(H,43,44)(H,45,46);;;/q;3*+1/p-3/t17?,18?,19-,20+,21+,22+,23-,29?,30-;;;/m1.../s1

InChIKey

VTGXXIZZNLGKRQ-LPULEAGDSA-K

Smiles

c1cc(ccc1[C@H](C(=O)NC2(CN(C2=O)C(c3ccc(cc3)[C@@]4([C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O)O)C(=O)[O-])NC=O)O)OCCC(C(=O)[O-])N.[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.