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Substance Name: Polymyxin B1
RN: 4135-11-9
UNII: B35S89JSRU
InChIKey: WQVJHHACXVLGBL-CTMZAJDNSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C56-H98-N16-O13

Molecular Weight

  • 1203.4892
 
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Names and Synonyms

Name of Substance

  • Polymyxin B(1)
  • Polymyxin B1

Synonyms

  • BRN 0505906
  • UNII-B35S89JSRU

Systematic Name

  • Polymyxin B1

Registry Numbers

CAS Registry Number

  • 4135-11-9

FDA UNII

  • B35S89JSRU

System Generated Number

  • 0004135119

Structure Descriptors

InChI

1S/C56H98N16O13/c1-7-32(4)13-11-12-16-44(75)63-36(17-23-57)51(80)72-46(34(6)74)56(85)68-39(20-26-60)48(77)67-41-22-28-62-55(84)45(33(5)73)71-52(81)40(21-27-61)65-47(76)37(18-24-58)66-53(82)42(29-31(2)3)69-54(83)43(30-35-14-9-8-10-15-35)70-49(78)38(19-25-59)64-50(41)79/h8-10,14-15,31-34,36-43,45-46,73-74H,7,11-13,16-30,57-61H2,1-6H3,(H,62,84)(H,63,75)(H,64,79)(H,65,76)(H,66,82)(H,67,77)(H,68,85)(H,69,83)(H,70,78)(H,71,81)(H,72,80)/t32-,33+,34+,36-,37-,38-,39-,40-,41-,42-,43+,45-,46-/m0/s1

InChIKey

WQVJHHACXVLGBL-CTMZAJDNSA-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](Cc2ccccc2)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 19mg/kg (19mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 334, 1980.
mouse LD50 intravenous 1500ug/kg (1.5mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 334, 1980.
mouse LD50 subcutaneous 80mg/kg (80mg/kg)   "CRC Handbook of Antibiotic Compounds," Vols.1- , Berdy, J., Boca Raton, FL, CRC Press, 1980Vol. 4(1), Pg. 334, 1980.