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Substance Name: Rufomycin B
RN: 37246-57-4
InChIKey: HCKHGXRBMDZKJV-YOHGAQRXSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C31-H47-N5-O7

Molecular Weight

  • 1012.2553
 
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Names and Synonyms

Synonym

  • Rufomycin I

Systematic Name

  • Rufomycin B

Registry Numbers

CAS Registry Number

  • 37246-57-4

System Generated Number

  • 0037246574

Structure Descriptors

InChI

1S/C54H77N9O10/c1-14-16-20-38-47(65)59-41(29-36-30-62(54(10,11)15-2)42-21-18-17-19-37(36)42)53(71)61(13)45(26-33(7)8)51(69)58-40(27-35-22-23-46(64)43(28-35)63(72)73)48(66)55-34(9)52(70)60(12)44(25-32(5)6)50(68)57-39(24-31(3)4)49(67)56-38/h14-19,21-23,28,30-34,38-41,44-45,64H,2,20,24-27,29H2,1,3-13H3,(H,55,66)(H,56,67)(H,57,68)(H,58,69)(H,59,65)/b16-14+/t34-,38-,39?,40-,41-,44-,45-/m0/s1

InChIKey

HCKHGXRBMDZKJV-YOHGAQRXSA-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)C)C)Cc2ccc(c(c2)[N+](=O)[O-])O)CC(C)C)C)Cc3cn(c4c3cccc4)C(C)(C)C=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2gm/kg (2000mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 296, 1980.