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Substance Name: Rufomycin A
RN: 37248-35-4
InChIKey: LFLLNSOGBQWVEW-OKMUAWPTSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C54-H75-N9-O12

Molecular Weight

  • 1042.2375
 
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Names and Synonyms

Synonym

  • Rufomycin III

Systematic Name

  • Rufomycin A

Registry Numbers

CAS Registry Number

  • 37248-35-4

System Generated Number

  • 0037248354

Structure Descriptors

InChI

1S/C54H75N9O12/c1-12-13-17-37-47(66)59-40(26-35-27-62(54(8,9)46-29-75-46)41-18-15-14-16-36(35)41)53(72)61(11)43(22-31(4)5)50(69)58-39(24-34-19-20-45(65)42(25-34)63(73)74)48(67)55-33(7)52(71)60(10)44(23-32(6)28-64)51(70)57-38(21-30(2)3)49(68)56-37/h12-16,18-20,25,27-28,30-33,37-40,43-44,46,65H,17,21-24,26,29H2,1-11H3,(H,55,67)(H,56,68)(H,57,70)(H,58,69)(H,59,66)/b13-12+/t32?,33-,37-,38?,39-,40-,43-,44-,46?/m0/s1

InChIKey

LFLLNSOGBQWVEW-OKMUAWPTSA-N

Smiles

C/C=C/C[C@H]1C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)NC(C(=O)N1)CC(C)C)CC(C)C=O)C)C)Cc2ccc(c(c2)[N+](=O)[O-])O)CC(C)C)C)Cc3cn(c4c3cccc4)C(C)(C)C5CO5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 296, 1980.