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Telavancin Hydrochloride

CAT: 0543-T126-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0543-T126-10MGSize:10 mg
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CAS Number
560130-42-9
Applications
Microbiology.
Purity
>95%
Molecular Formula
C80H107Cl3N11O27P
Molecular Weight
1792.1
Shipping Conditions
Ambient
Storage Conditions
-20°C

Chemical Information

Vancomycin, N3''-(2-(decylamino)ethyl)-29-(((phosphonomethyl)amino)methyl)-, hydrochloride (1:1)

Telavancin hydrochloride is 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. It has a role as an antimicrobial agent and an antibacterial drug. It contains a telavancin.

CAS Number560130-42-9
PubChem CID9812715
IUPAC Name(1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5S,6S)-4-[2-(decylamino)ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(phosphonomethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;hydrochloride
Molecular FormulaC80H107Cl3N11O27P
Molecular Weight1792.1
Topological Polar Surface Area598
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count31
Rotatable Bond Count30
Heavy Atom Count122
Formal Charge0
Complexity3490
SMILES
CCCCCCCCCCNCCN[C@]1(C[C@@H](O[C@H]([C@H]1O)C)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H]5C(=O)N[C@@H]7C8=CC(=C(C=C8)O)C9=C(C(=C(C=C9[C@H](NC(=O)[C@H]([C@@H](C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)O)CNCP(=O)(O)O)O)CC(=O)N)NC(=O)[C@@H](CC(C)C)NC)O)Cl)CO)O)O)C.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
Chemical Structure
2D Structure
2D structure of Vancomycin, N3''-(2-(decylamino)ethyl)-29-(((phosphonomethyl)amino)methyl)-, hydrochloride (1:1)
CAS: 560130-42-9
CID: 9812715
Formula: C80H107Cl3N11O27P
MW: 1792.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1792.1
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count31
Rotatable Bond Count30
Exact Mass1789.614107
Monoisotopic Mass1789.614107
Topological Polar Surface Area598 Ų
Heavy Atom Count122
Formal Charge0
Complexity3490
Isotope Atom Count0
Defined Atom Stereocenter Count18
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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