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Substance Name: Colistinmethanesulfonic acid
RN: 12705-41-8
UNII: DL2R53P963
InChIKey: IQWHCHZFYPIVRV-UHFFFAOYSA-I

Molecular Formula

  • Unspecified

Molecular Weight

  • 1749.8315
 
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Names and Synonyms

Name of Substance

  • Colistinmethanesulfonic acid

Synonyms

  • Colistinmethanesulfonic acid
  • UNII-DL2R53P963

Systematic Name

  • Colistinmethanesulfonic acid (VAN)

Registry Numbers

CAS Registry Number

  • 12705-41-8

FDA UNII

  • DL2R53P963

Other Registry Numbers

  • 12672-52-5
  • 20908-80-9
  • 23318-37-8

Related Registry Number

  • 8068-28-8 (di-hydrochloride salt)

System Generated Number

  • 0012705418

Structure Descriptors

InChI

1S/C58H110N16O28S5.5Na/c1-9-35(6)12-10-11-13-46(77)65-38(14-20-59-28-103(88,89)90)53(82)74-48(37(8)76)58(87)70-41(17-23-62-31-106(97,98)99)50(79)68-43-19-25-64-57(86)47(36(7)75)73-54(83)42(18-24-63-32-107(100,101)102)67-49(78)39(15-21-60-29-104(91,92)93)69-55(84)44(26-33(2)3)72-56(85)45(27-34(4)5)71-52(81)40(66-51(43)80)16-22-61-30-105(94,95)96;;;;;/h33-45,47-48,59-63,75-76H,9-32H2,1-8H3,(H,64,86)(H,65,77)(H,66,80)(H,67,78)(H,68,79)(H,69,84)(H,70,87)(H,71,81)(H,72,85)(H,73,83)(H,74,82)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H,97,98,99)(H,100,101,102);;;;;/q;5*+1/p-5

InChIKey

IQWHCHZFYPIVRV-UHFFFAOYSA-I

Smiles

CCC(C)CCCCC(=O)N[C@@H](CCNCS(=O)(=O)[O-])C(=O)N[C@@H](C(C)O)C(=O)NC(CCNCS(=O)(=O)[O-])C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCNCS(=O)(=O)[O-])CC(C)C)CC(C)C)CCNCS(=O)(=O)[O-])CCNCS(=O)(=O)[O-])C(C)O.[Na+].[Na+].[Na+].[Na+].[Na+]