Amphotericin B
(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
Molecular Identity
Amphotericin B
(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
PubChem CID: 5280965
Amphotericin B is a macrolide antibiotic used to treat potentially life-threatening fungal infections. It has a role as an antiamoebic agent, an antiprotozoal drug and a bacterial metabolite. It is a macrolide antibiotic, a polyene antibiotic and an antibiotic antifungal drug.
2D Structure
Properties
C47H73NO17
Molecular Formula
924.10
Molecular Weight
g/mol
923.4878
Exact Mass
Da
0
XLogP
Drug-like (Lipinski: < 5)
320
TPSA
May have limited oral absorption
12
H-Bond Donors
18
H-Bond Acceptors
1670
Complexity
SMILES
Canonical SMILES
SMILES: CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)OIsomeric SMILES
SMILES: C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)OSynonyms(20)
amphotericin b1397-89-3Amphotericine BAmfotericina BHalizonAmpho-MoronalAmphotericinum BFungizoneAmphocinAmphotecAmphotericinBAMPH-BAmphotocerinAmbilFungilin
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Amphotericin B
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