The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Id http://purl.obolibrary.org/obo/CHEBI_34650
http://purl.obolibrary.org/obo/CHEBI_34650
Preferred Name

colistimethate sodium
Synonyms
colistin sulfomethate sodium
Colistin sodium methanesulfonate
colistin sulfomethate
sodium colistin methanesulfonate
Colistin methanesulfonate
sodium colistimethate
pentasodium colistinmethanesulfonate
Colistimethate sodium
[(3-{3-hydroxy-2-[2-(6-methyloctanamido)-4-[(sulfonatomethyl)amino]butanamido]butanamido}-3-{[3-(1-hydroxyethyl)-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-6,9,18-tris({2-[(sulfonatomethyl)amino]ethyl})-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]carbamoyl}propyl)amino]methanesulfonate
C57H102N16Na5O28S5R
colistimethate
C58H105N16O28S5
colistimethate sodium
sodium colistinemethanesulfonate
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Type http://www.w3.org/2002/07/owl#Class

All Properties

prefLabel
colistimethate sodium
label
colistimethate sodium
DBSynonym
colistin sodium methanesulfonate from bacillus colistinus
colistin methanesulfonate sodium salt
colistin sodium methanesulfonate
colistimethate sodium
colistimethale sodium
Definition
A mixture where R = H or Me. Colistin in which each of the primary amino groups is converted to the corresponding aminomethanesulfonic acid sodium salt, commonly by the action of formaldehyde followed by sodium bisulfite. A polymyxin antibiotic derivative, it is used in the treatment of severe infections, particularly of multidrug-resistant Gram-negative bacteria such as Pseudomonas aeruginosa and Acinetobacter baumannii.
altId
CHEBI:597110
has pharmacological target
type
has role
InChIKey
InChIKey=BSSIRFLGSWHWDE-UHFFFAOYSA-I
AHFScode
08:12.28.28
Synonym
colistin sulfomethate sodium
Colistin sodium methanesulfonate
colistin sulfomethate
sodium colistin methanesulfonate
Colistin methanesulfonate
sodium colistimethate
pentasodium colistinmethanesulfonate
Colistimethate sodium
[(3-{3-hydroxy-2-[2-(6-methyloctanamido)-4-[(sulfonatomethyl)amino]butanamido]butanamido}-3-{[3-(1-hydroxyethyl)-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-6,9,18-tris({2-[(sulfonatomethyl)amino]ethyl})-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]carbamoyl}propyl)amino]methanesulfonate
C57H102N16Na5O28S5R
colistimethate
C58H105N16O28S5
colistimethate sodium
sodium colistinemethanesulfonate
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xref
KEGG DRUG:D02049
Drugs Product Database (DPD):2244849
CiteXplore:18625681
PharmGKB:PA164749509
CASRN:8068-28-8
Drugs.com:http://www.drugs.com/cdi/colistimethate.html
CiteXplore:16931410
KEGG COMPOUND:C13553
PubChem Compound:216258
RxList:http://www.rxlist.com/cgi/generic2/colistimethate.htm
PubChem Substance:46508586
National Drug Code Directory:0574-0858-01
DrugBank:DB01111
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CASRN
8068-28-8
prefixIRI
obo2:CHEBI_34650
related with
SMILES
CCC(C)CCCCC(=O)NC(CCNCS([O-])(=O)=O)C(=O)NC(C(C)O)C(=O)NC(CCNCS([O-])(=O)=O)C(=O)NC1CCNC(=O)C(NC(=O)C(CCNCS([O-])(=O)=O)NC(=O)C(CCNCS([O-])(=O)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCNCS([O-])(=O)=O)NC1=O)C(C)O
[Na+].[Na+].[Na+].[Na+].[Na+].CC[C@@H](C)CCCCC(=O)N[C@@H](CCNCS([O-])(=O)=O)C(=O)N[C@@H]([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
DBname
colistimethate
InChI
InChI=1S/C58H110N16O28S5/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)/p-5
DBBrand
coly-mycin m
subClassOf
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