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Details

Stereochemistry ABSOLUTE
Molecular Formula C58H105N16O28S5.5Na
Molecular Weight 1749.819
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of COLISTIN A SODIUM METHANESULFONATE

SMILES

[Na+].[Na+].[Na+].[Na+].[Na+].[H][C@](NC(=O)[C@H](CCNCS([O-])(=O)=O)NC(=O)CCCC[C@@H](C)CC)([C@@H](C)O)C(=O)N[C@@H](CCNCS([O-])(=O)=O)C(=O)N[C@H]1CCNC(=O)[C@@]([H])(NC(=O)[C@H](CCNCS([O-])(=O)=O)NC(=O)[C@H](CCNCS([O-])(=O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCNCS([O-])(=O)=O)NC1=O)[C@@H](C)O

InChI

InChIKey=IQWHCHZFYPIVRV-VVXJTWMDSA-I
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/t35-,36+,37+,38-,39-,40-,41-,42-,43-,44-,45+,47-,48-;;;;;/m0...../s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C58H105N16O28S5
Molecular Weight 1634.87
Charge -5
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 13 / 13
E/Z Centers 3
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:31:38 GMT 2023
Edited
by admin
on Fri Dec 15 16:31:38 GMT 2023
Record UNII
0REB5D8ERB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
COLISTIN A SODIUM METHANESULFONATE
Common Name English
COLISTIMETHATE SODIUM (A COMPONENT)
Common Name English
COLISTIN A SODIUM METHANESULPHONATE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C78160
Created by admin on Fri Dec 15 16:31:38 GMT 2023 , Edited by admin on Fri Dec 15 16:31:38 GMT 2023
Code System Code Type Description
PUBCHEM
66571288
Created by admin on Fri Dec 15 16:31:38 GMT 2023 , Edited by admin on Fri Dec 15 16:31:38 GMT 2023
PRIMARY
EPA CompTox
DTXSID00179447
Created by admin on Fri Dec 15 16:31:38 GMT 2023 , Edited by admin on Fri Dec 15 16:31:38 GMT 2023
PRIMARY
EVMPD
SUB06801MIG
Created by admin on Fri Dec 15 16:31:38 GMT 2023 , Edited by admin on Fri Dec 15 16:31:38 GMT 2023
PRIMARY
CAS
24708-58-5
Created by admin on Fri Dec 15 16:31:38 GMT 2023 , Edited by admin on Fri Dec 15 16:31:38 GMT 2023
PRIMARY
FDA UNII
0REB5D8ERB
Created by admin on Fri Dec 15 16:31:38 GMT 2023 , Edited by admin on Fri Dec 15 16:31:38 GMT 2023
PRIMARY
NCI_THESAURUS
C75974
Created by admin on Fri Dec 15 16:31:38 GMT 2023 , Edited by admin on Fri Dec 15 16:31:38 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE