Basic information
- CAS
61991-54-6- Standard SMILES
CO[C@@H]1[C@@H](OC)[C@H](C)[C@@](O)(CC(=O)O)O[C@H]1[C@H](C)[C@H]1O[C@@]2(CC[C@@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@](C)(O)[C@H](C)C[C@@H]5C)C[C@@H]4O[C@@H]4C[C@H](OC)[C@@H](OC)[C@H](C)O4)O3)O2)C[C@H](O)[C@H]1C- InChIKey
RWVUEZAROXKXRT-VQLSFVLHSA-N- Molecular formula
- C47H80O17
- Average molar mass
- 917.1 g/mol
- Monoisotopic mass
- 916.53955108
Overview
X-14868A is a glycoside.
Names & identifiers
- Preferred name
- Maduramicin alpha
- IUPAC
- 2-[(2R,3S,4S,5R,6S)-6-[(1R)-1-[(2S,5R,7S,8R,9S)-2-[(2R,5S)-5-[(2R,3S,5R)-3-[(2R,4S,5S,6S)-4,5-dimethoxy-6-methyloxan-2-yl]oxy-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-2-hydroxy-4,5-dimethoxy-3-methyloxan-2-yl]acetic acid
- English name
- Maduramicin
- Molecular formula
- C47H80O17.H3N
- Molecular weight
- 934.163
Names & synonyms
Maduramicin acidMaduramicin alpha6S6GVE3CIQ79356-08-4X 14868ADTXSID001044546RefChem:925167DTXCID901526666CygroX-14868AMADURAMICIN .ALPHA.H-Lys-Lys-Lys-OHacetate98%
Show more names
MadurmycinmaduromycinMaduramicin USP/EP/BPmaduranmicinammonium1%(2R,3S,4S,5R,6S)-6-[(1R)-1-[(2S,5R,7S,8R,9S)-2-[(2S,2'R,3'S,5R,5'R)-3'-[(2,6-Dideoxy-3,4-di-O-methyl-b-L-arabino-hexopyranosyl)oxy]octahydro-2-methyl-5'-[(2S,3S,5R,6S)-tetrahydro-6-hydroxy-3,5,6-trimethyl-2H-pyran-2-yl][2,2'-bifuran]-5-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl]ethyl]tetrahydro-2-hydroxy-4,5-dimethoxy-3-methyl-2H-pyran-2-acetic acid
ANTIBIOTIC X 14868A2-[(2R,3S,4S,5R,6S)-6-[(1R)-1-[(2S,5R,7S,8R,9S)-2-[(2R,5S)-5-[(2R,3S,5R)-3-[(2R,4S,5S,6S)-4,5-dimethoxy-6-methyloxan-2-yl]oxy-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]ethyl]-2-hydroxy-4,5-dimethoxy-3-methyloxan-2-yl]acetic acidMaduramycinUNII-6S6GVE3CIQAmerican Cyanamid 274297CHEMBL1909065SCHEMBL22574796CHEBI:219859
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 209 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 13
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 1,610
Experimental & physicochemical properties
Collision Cross Section321.88 Ų [M+Na]+
Physicochemical properties
- Melting point
- 305 · 305-310 ºC
Chemistry & industry
Applications
UsesMaduramycin is a new type of anticoccidial drug, which can be used to prevent and treat coccidiosis in chickens. It is mainly used for broiler coccidiosis.
Suppliers23 total
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]
湖南瑞威尔生物科技有限公司18627957289 18173226957 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
Hebei Zhuanglai Chemical Trading Co.,Ltd13343047651 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
泰安嘉岳生物化工有限公司15318151873 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
上海万千化工有限公司
Related reactions
0 records
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Compound notes
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