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Substance Name: Phleomycin G
RN: 11031-15-5
InChIKey: JDNKEWBGOHYIEH-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Natural Product

Molecular Formulas

  • C26-H49-Cu-N9-O12-S
  • C65-H108-N26-O21-S2

Molecular Weight

  • 1653.8612
 
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Names and Synonyms

Synonym

  • Dihydrobleomycin B6

Systematic Name

  • Phleomycin G

Registry Numbers

CAS Registry Number

  • 11031-15-5

Other Registry Number

  • 82250-35-9

System Generated Number

  • 0011031155

Structure Descriptors

InChI

1S/C65H108N26O21S2/c1-27-40(88-53(91-51(27)68)32(19-38(67)95)83-20-31(66)52(69)101)57(105)90-42(48(33-21-75-26-84-33)110-61-50(46(99)44(97)36(22-92)109-61)111-60-47(100)49(112-65(74)107)45(98)37(23-93)108-60)58(106)85-29(3)43(96)28(2)54(102)89-41(30(4)94)56(104)77-18-11-39-86-35(25-113-39)59-87-34(24-114-59)55(103)76-12-5-7-14-79-63(72)81-16-9-10-17-82-64(73)80-15-8-6-13-78-62(70)71/h21,24,26,28-32,35-37,41-50,60-61,83,92-94,96-100H,5-20,22-23,25,66H2,1-4H3,(H2,67,95)(H2,69,101)(H2,74,107)(H,75,84)(H,76,103)(H,77,104)(H,85,106)(H,89,102)(H,90,105)(H2,68,88,91)(H4,70,71,78)(H3,72,79,81)(H3,73,80,82)

InChIKey

JDNKEWBGOHYIEH-UHFFFAOYSA-N

Smiles

Cc1c(nc(nc1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(c2cnc[nH]2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(CS5)c6nc(cs6)C(=O)NCCCCNC(=N)NCCCCNC(=N)NCCCCNC(=N)N)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 200mg/kg (200mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 480, 1980.