telavancin hydrochloride (CHEBI:71226)

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CHEBI:71226 - telavancin hydrochloride

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ChEBI ID	CHEBI:71226
ChEBI Name	telavancin hydrochloride
Stars
Definition	A hydrochloride obtained by combining telavancin and hydrochloric acid. The composition of the compound is telavancin.nHCl where n = 1-3. Used for treatment of adults with complicated skin and skin structure infections caused by bacteria.
Last Modified	23 November 2012
Submitter	Steve
Downloads	Molfile

Formula	(HCl)n.C80H106Cl2N11O27P
Net Charge	0
Average Mass	1792.119
Monoisotopic Mass	1789.61411
SMILES	CCCCCCCCCCNCCN[C@@]1(C)C[C@H](O[C@H]2[C@H](Oc3c4cc5cc3Oc3ccc(cc3Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]5C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c5cc(O)c(CNCP(=O)(O)O)c(O)c5-c5cc3ccc5O)[C@H](O)c3ccc(c(Cl)c3)O4)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@@H](C)[C@H]1O.Cl
InChI	InChI=1S/C80H106Cl2N11O27P.ClH/c1-7-8-9-10-11-12-13-14-21-85-22-23-87-80(5)32-57(115-37(4)71(80)103)119-70-68(102)67(101)55(34-94)118-79(70)120-69-53-28-41-29-54(69)117-52-20-17-40(27-46(52)82)65(99)63-77(109)91-61(78(110)111)43-30-50(96)44(33-86-35-121(112,113)114)66(100)58(43)42-25-38(15-18-49(42)95)59(74(106)93-63)90-75(107)60(41)89-73(105)48(31-56(83)97)88-76(108)62(92-72(104)47(84-6)24-36(2)3)64(98)39-16-19-51(116-53)45(81)26-39;/h15-20,25-30,36-37,47-48,55,57,59-65,67-68,70-71,79,84-87,94-96,98-103H,7-14,21-24,31-35H2,1-6H3,(H2,83,97)(H,88,108)(H,89,105)(H,90,107)(H,91,109)(H,92,104)(H,93,106)(H,110,111)(H2,112,113,114);1H/t37-,47+,48-,55+,57-,59+,60+,61-,62+,63-,64+,65+,67+,68-,70+,71+,79-,80-;/m0./s1
InChIKey	GSSIWSIRBWAZHG-ACOPVEIWSA-N

Roles Classification

Biological Roles:	antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. antibacterial drug A drug used to treat or prevent bacterial infections.
Application:	antibacterial drug A drug used to treat or prevent bacterial infections.

ChEBI Ontology

Outgoing Relation(s)
	telavancin hydrochloride (CHEBI:71226) has part telavancin (CHEBI:71229)
	telavancin hydrochloride (CHEBI:71226) has role antibacterial drug (CHEBI:36047)
	telavancin hydrochloride (CHEBI:71226) has role antimicrobial agent (CHEBI:33281)
	telavancin hydrochloride (CHEBI:71226) is a hydrochloride (CHEBI:36807)

INN	Source
telavancin hydrochloride	ChemIDplus

Synonyms	Source
Td 6424	ChemIDplus
Td-6424	ChemIDplus

Brand Name	Source
Vibativ	KEGG DRUG

Manual Xrefs	Databases
D06057	KEGG DRUG

Registry Numbers	Sources
Reaxys:9988179	Reaxys
CAS:560130-42-9	KEGG DRUG
CAS:560130-42-9	ChemIDplus

Citations