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Substance Name: Polymyxin T(1)
RN: 63700-39-0
InChIKey: IQLZHIIINCHIKY-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C58-H102-N16-O12

Molecular Weight

  • 1215.54
 
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Names and Synonyms

Name of Substance

  • Polymyxin T(1)

Synonym

  • Polymyxin T1

Systematic Name

  • Polymyxin B1, 10-L-leucine

Registry Numbers

CAS Registry Number

  • 63700-39-0

System Generated Number

  • 0063700390

Structure Descriptors

InChI

1S/C58H102N16O12/c1-8-35(6)14-12-13-17-47(76)65-38(18-24-59)55(83)74-48(36(7)75)58(86)70-42(22-28-63)51(79)69-43-23-29-64-49(77)44(30-33(2)3)71-52(80)40(20-26-61)66-50(78)39(19-25-60)68-56(84)45(31-34(4)5)72-57(85)46(32-37-15-10-9-11-16-37)73-53(81)41(21-27-62)67-54(43)82/h9-11,15-16,33-36,38-46,48,75H,8,12-14,17-32,59-63H2,1-7H3,(H,64,77)(H,65,76)(H,66,78)(H,67,82)(H,68,84)(H,69,79)(H,70,86)(H,71,80)(H,72,85)(H,73,81)(H,74,83)

InChIKey

IQLZHIIINCHIKY-UHFFFAOYSA-N

Smiles

N1[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(N[C@@H](C(NCC[C@@H](NC(=O)[C@@H](CCN)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](NC(CCCC[C@@H](CC)C)=O)CCN)C(N[C@@H](C1=O)CCN)=O)=O)CC(C)C)=O)CCN)=O)CCN)=O)CC(C)C)=O)Cc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 32mg/kg (32mg/kg)   Journal of Antibiotics. Vol. 30, Pg. 1029, 1977.