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Substance Name: Polymyxin B1 pentahydrochloride
RN: 6883-64-3
UNII: MJG2FR5ODZ
InChIKey: OKIKKFVUTYOCNW-XNRVUXMISA-N

Molecular Formula

  • C56-H98-N16-O13.5Cl-H

Molecular Weight

  • 1385.7937
 
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Names and Synonyms

Name of Substance

  • Polymyxin B1 pentahydrochloride

Synonyms

  • Polymyxin B1 pentahydrochloride
  • Polymyxin B1 pentahydrochloride [MI]
  • Polymyxin B1, hydrochloride (1:5)
  • UNII-MJG2FR5ODZ

Registry Numbers

CAS Registry Number

  • 6883-64-3

FDA UNII

  • MJG2FR5ODZ

System Generated Number

  • 0006883643

Structure Descriptors

InChI

1S/C56H98N16O13.5ClH/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);5*1H/t32-,33+,34+,36-,37-,38-,39-,40-,41-,42-,43+,45-,46-;;;;;/m0...../s1

InChIKey

OKIKKFVUTYOCNW-XNRVUXMISA-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](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CCN)Cc2ccccc2)CC(C)C)CCN)CCN)[C@@H](C)O.Cl.Cl.Cl.Cl.Cl