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Substance Name: Flambamycin
RN: 42617-24-3
InChIKey: ATJWHTJURZPAPG-CFNSFCSXSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C61-H88-Cl2-O33.H2-O

Molecular Weight

  • 1420.2392
 
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Names and Synonyms

Name of Substance

  • Flambamycin

Synonyms

  • Antibiotic RP 21190
  • Flambamycin
  • RP-21190

Systematic Name

  • beta-D-Mannopyranoside, O-4-C-acetyl-6-deoxy-2,3-O-methylenehexopyranosylidene-(1-3-4)-2-O-(2-methyl-1-oxopropyl)-alpha-L-lyxopyranosyl O-2,6-dideoxy-4-O-(3,5-dichloro-4-hydroxy-2-methoxy-6-methylbenzoyl)-beta-D-arabino-hexopyranosyl-(1-4)-O-2,6-dideoxy-D-ribo-hexopyranosylidene-(1-3-4)-O-6-deoxy-3-C-methyl-beta-D-mannopyranosyl-(1-3)-O-6-deoxy-4-O-methyl-beta-D-galactopyranosyl-(1-4)-2,6-di-O-methyl-

Registry Numbers

CAS Registry Number

  • 42617-24-3

System Generated Number

  • 0042617243

Molecular Formulas

Molecular Formula

  • C61-H88-Cl2-O33.H2-O

Molecular Formula Fragments

  • C61-H88-Cl2-O33
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C61H88Cl2O33/c1-20(2)51(71)86-46-41-31(93-61(94-41)50-49(80-19-81-50)60(74,25(7)64)26(8)92-61)18-79-55(46)90-56-44(77-12)36(68)40(30(84-56)17-75-10)87-54-37(69)43(45(78-13)53(73)89-54)88-57-47(70)58(9)48(24(6)82-57)95-59(96-58)16-29(66)39(23(5)91-59)83-27-14-21(3)38(28(65)15-27)85-52(72)32-22(4)33(62)35(67)34(63)42(32)76-11/h20-21,23-24,26-31,36-41,43-50,53-57,65-70,73-74H,14-19H2,1-13H3/t21-,23+,24+,26+,27+,28+,29+,30+,31-,36-,37+,38+,39+,40+,41+,43+,44-,45+,46+,47+,48+,49+,50+,53-,54+,55-,56-,57-,58+,59+,60-,61+/m0/s1

InChIKey

ATJWHTJURZPAPG-CFNSFCSXSA-N

Smiles

Cc1c(c(c(c(c1Cl)O)Cl)OC)C(=O)O[C@@H]2[C@H](C[C@H](C[C@H]2O)O[C@@H]3[C@H](O[C@]4(C[C@H]3O)O[C@@H]5[C@H](O[C@H]([C@H]([C@]5(O4)C)O)O[C@@H]6[C@H]([C@@H](O[C@@H]([C@@H]6OC)O)O[C@@H]7[C@H](O[C@H]([C@H]([C@H]7O)OC)O[C@H]8[C@@H]([C@H]9[C@H](CO8)O[C@@]1(O9)[C@H]2[C@H]([C@@]([C@H](O1)C)(C(=O)C)O)OCO2)OC(=O)C(C)C)COC)O)C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 2500mg/kg (2500mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 1, Pg. 357, 1980.