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Substance Name: Circulin
RN: 9008-54-2
UNII: DDM50A9549
InChIKey: YLHJFOAQDDQFIU-LGGGVIKPSA-N

Note

  • Antibiotics in polymyxin group.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C56-H96-N12-O13

Molecular Weight

  • 1057.2576
 
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Names and Synonyms

Name of Substance

  • Circulin

Synonyms

  • EINECS 232-717-1
  • Polypeptin
  • UNII-DDM50A9549

Systematic Name

  • Circulin

Registry Numbers

CAS Registry Number

  • 9008-54-2

FDA UNII

  • DDM50A9549

System Generated Number

  • 0009008542

Structure Descriptors

InChI

1S/C45H84N16O13/c1-7-23(4)33-44(73)56-28(10-16-48)37(66)54-30(12-18-50)41(70)60-34(24(5)63)43(72)51-19-13-31(40(69)53-27(9-15-47)39(68)58-32(20-22(2)3)42(71)59-33)55-38(67)29(11-17-49)57-45(74)35(25(6)64)61-36(65)26(8-14-46)52-21-62/h21-35,63-64H,7-20,46-50H2,1-6H3,(H,51,72)(H,52,62)(H,53,69)(H,54,66)(H,55,67)(H,56,73)(H,57,74)(H,58,68)(H,59,71)(H,60,70)(H,61,65)/t23-,24+,25+,26-,27-,28-,29-,30-,31-,32+,33-,34-,35-/m0/s1

InChIKey

YLHJFOAQDDQFIU-LGGGVIKPSA-N

Smiles

CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CC(C)C)CCN)NC(=O)[C@H](CCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC=O)[C@@H](C)O)CCN)CCN

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 12mg/kg (12mg/kg) BLOOD: OTHER HEMOLYSIS WITH OR WITHOUT ANEMIA Journal of Bacteriology. Vol. 56, Pg. 749, 1948.
mouse LD50 intravenous 10mg/kg (10mg/kg)   Journal of Clinical Investigation. Vol. 28, Pg. 1032, 1949.
mouse LD50 subcutaneous 77mg/kg (77mg/kg)   Journal of Clinical Investigation. Vol. 28, Pg. 1032, 1949.
rat LD50 intramuscular 23mg/kg (23mg/kg)   Journal of Clinical Investigation. Vol. 28, Pg. 1032, 1949.
rat LD50 intravenous 20mg/kg (20mg/kg)   Journal of Clinical Investigation. Vol. 28, Pg. 1032, 1949.