Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01469)
Name
Telavancin hydrochloride
Synonyms    Click to Show/Hide the Synonyms of This API
Telavancin Hydrochloride; Vibativ; UNII-0701472ZG0; Td 6424; Telavancin hydrochloride [USAN]; 560130-42-9; TD-6424; 0701472ZG0; Telavancin hydrochloride (USAN); Vibativ (TN); CHEMBL3301680; CHEBI:71226; D06057; Q47495786; Vancomycin, N3'-(2-(decylamino)ethyl)-29-(((phosphonomethyl)amino)methyl)-, monohydrochloride
Clinical Status
Approved
PubChem CID
9812715
Formula
C80H107Cl3N11O27P
Canonical 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
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
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=9812715"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 1792.1 Topological Polar Surface Area 598
XlogP N.A. Complexity 3490
Heavy Atom Count 122 Rotatable Bond Count 30
Hydrogen Bond Donor Count 24 Hydrogen Bond Acceptor Count 31
Full List of Drug Formulations (DFMs) Containing This API
          Telavancin Hydrochloride eq 250mg base/vial powder Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Hydroxypropylbetadex; Ph. Eur(Hydroxypropyl-Beta-Cyclodextrin); Mannitol
                   Dosage Form Powder
                   Company Cumberland Pharms
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Mannitol DIG Info Glycine receptor alpha-1 (EC50 = 12589.25 nM) [1]
Hydroxyethyl-beta-cyclodextrin DIG Info Solute carrier SLCO1A2 (IC50 = 0.027 %(w/v)) [2]
          Telavancin Hydrochloride eq 750mg base/vial powder Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Hydroxypropylbetadex; Ph. Eur(Hydroxypropyl-Beta-Cyclodextrin); Mannitol
                   Dosage Form Powder
                   Company Cumberland Pharms
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Mannitol DIG Info Glycine receptor alpha-1 (EC50 = 12589.25 nM) [1]
Hydroxyethyl-beta-cyclodextrin DIG Info Solute carrier SLCO1A2 (IC50 = 0.027 %(w/v)) [2]
References
1 Pharmacological property optimization for allosteric ligands: A medicinal chemistry perspective. Bioorg Med Chem Lett. 2017 Jun 1; 27(11):2239-2258.
2 Pharmaceutical excipients influence the function of human uptake transporting proteins. Mol Pharm. 2012 Sep 4;9(9):2577-81.

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