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Substance Name: Phleomycin E
RN: 11031-13-3
InChIKey: NVEXEWYGCXIGOY-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Natural Product

Molecular Formula

  • C60-H97-N23-O21-S2

Molecular Weight

  • 1540.7
 
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Names and Synonyms

Name of Substance

  • Phleomycin E

Systematic Name

  • Phleomycin E

Registry Numbers

CAS Registry Number

  • 11031-13-3

Other Registry Numbers

  • 39421-89-1
  • 97689-36-6

System Generated Number

  • 0011031133

Structure Descriptors

InChI

1S/C60H97N23O21S2/c1-23-36(80-49(83-47(23)63)28(15-34(62)87)75-16-27(61)48(64)93)53(97)82-38(44(29-17-69-22-76-29)102-57-46(42(91)40(89)32(18-84)101-57)103-56-43(92)45(104-60(68)99)41(90)33(19-85)100-56)54(98)77-25(3)39(88)24(2)50(94)81-37(26(4)86)52(96)71-14-9-35-78-31(21-105-35)55-79-30(20-106-55)51(95)70-10-5-7-12-73-59(67)74-13-8-6-11-72-58(65)66/h17,20,22,24-28,31-33,37-46,56-57,75,84-86,88-92H,5-16,18-19,21,61H2,1-4H3,(H2,62,87)(H2,64,93)(H2,68,99)(H,69,76)(H,70,95)(H,71,96)(H,77,98)(H,81,94)(H,82,97)(H2,63,80,83)(H4,65,66,72)(H3,67,73,74)

InChIKey

NVEXEWYGCXIGOY-UHFFFAOYSA-N

Smiles

N(C(=N)NCCCCNC(c1csc([C@@H]2CSC(=N2)CCNC(=O)[C@@H]([C@@H](C)O)NC([C@@H]([C@@H]([C@@H](NC([C@@H]([C@@H](c2[nH]cnc2)O[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](CO)O2)O)O)O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]([C@@H]2O)OC(N)=O)NC(c2c(c(nc(n2)[C@@H](NC[C@@H](C(N)=O)N)CC(N)=O)N)C)=O)=O)C)O)C)=O)n1)=O)CCCCNC(N)=N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 25mg/kg (25mg/kg)   Journal of Antibiotics, Series A. Vol. 19, Pg. 260, 1966.