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Substance Name: Colistin A
RN: 7722-44-3
UNII: 500HI50Z9H
InChIKey: XDJYMJULXQKGMM-HHAJOKTESA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C53-H100-N16-O13

Molecular Weight

  • 1169.472
 
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Names and Synonyms

Name of Substance

  • Colistin A

Synonyms

  • BRN 0604503
  • Colistin IV
  • Polymixin E1
  • Polymyxin E1
  • UNII-500HI50Z9H

Systematic Names

  • Colistin A
  • L-Threonine, N2-(6-methyl-1-oxooctyl)-L-2,4-diaminobutanoyl-L-threonyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-D-leucyl-L-leucyl-L-2,4-diaminobutanoyl-L-2,4-diaminobutanoyl-, cyclic (10-4)-peptide

Registry Numbers

CAS Registry Number

  • 7722-44-3

FDA UNII

  • 500HI50Z9H

System Generated Number

  • 0007722443

Structure Descriptors

InChI

1S/C53H100N16O13/c1-9-30(6)12-10-11-13-41(72)60-33(14-20-54)48(77)69-43(32(8)71)53(82)65-36(17-23-57)45(74)64-38-19-25-59-52(81)42(31(7)70)68-49(78)37(18-24-58)62-44(73)34(15-21-55)63-50(79)39(26-28(2)3)67-51(80)40(27-29(4)5)66-46(75)35(16-22-56)61-47(38)76/h28-40,42-43,70-71H,9-27,54-58H2,1-8H3,(H,59,81)(H,60,72)(H,61,76)(H,62,73)(H,63,79)(H,64,74)(H,65,82)(H,66,75)(H,67,80)(H,68,78)(H,69,77)/t30-,31+,32+,33-,34-,35-,36-,37-,38-,39-,40+,42-,43-/m0/s1

InChIKey

XDJYMJULXQKGMM-HHAJOKTESA-N

Smiles

CC[C@H](C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 23mg/kg (23mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 338, 1980.