4-Aminosalicyl, rifamycin
4-[[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-13-acetyloxy-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-26-yl]methylideneamino]-2-hydroxybenzoic acid
Molecular Identity
4-Aminosalicyl, rifamycin
4-[[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-13-acetyloxy-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-26-yl]methylideneamino]-2-hydroxybenzoic acid
PubChem CID: 135459782
2D Structure
Properties
C45H52N2O15
Molecular Formula
860.90
Molecular Weight
g/mol
860.3368
Exact Mass
Da
5.9
XLogP
Above Lipinski threshold
271
TPSA
May have limited oral absorption
8
H-Bond Donors
16
H-Bond Acceptors
1750
Complexity
SMILES
Canonical SMILES
SMILES: CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=NC5=CC(=C(C=C5)C(=O)O)O)CIsomeric SMILES
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=NC5=CC(=C(C=C5)C(=O)O)O)/CSynonyms(4)
4-Aminosalicyl, rifamycinT14-[(acetoxy-pentahydroxy-methoxy-heptamethyl-dioxo-[?]yl)methyleneamino]-2-hydroxy-benzoic acidBenzoic acid, 4-[[[(2S,16S,17S,18R,19R,20R,21S,22R,23S)-21-(acetyloxy)-1,2-dihydro-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-2,7-(epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-8-yl]methylene]amino]-2-hydroxy-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 4-Aminosalicyl, rifamycin
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