Basic information
- CAS
110480-13-2- Standard SMILES
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@@]2(C)CC(C)=C(O2)[C@H](C)[C@@H](O)[C@]1(C)O- InChIKey
FPBKIOZMKHHNLL-CBUZSSJJSA-N- Molecular formula
- C39H69NO12
- Average molar mass
- 744 g/mol
- Monoisotopic mass
- 743.48197664
Overview
a motilin receptor agonist in human gastric antrum; structure given in first source
Names & identifiers
- Preferred name
- Idremcinal
- IUPAC
- (2R,3R,4S,5R,8R,9S,10S,11R,12R)-5-ethyl-3,4-dihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(propan-2-yl)amino]oxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one
- English name
- Idremcinal
- Molecular formula
- C39H69NO12
- Molecular weight
- 743.96
Names & synonyms
IdremcinalEM574110480-13-2EM-5740M6189XXJN(2R,3R,4S,5R,8R,9S,10S,11R,12R)-5-ethyl-3,4-dihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(propan-2-yl)amino]oxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-oneDTXSID10891360idremcinalumErythromycin, 8,9-didehydro-N-demethyl-9-deoxo-6-deoxy-6,9-epoxy-N-(1-methylethyl)-(2R,3R,4S,5R,8R,9S,10S,11R,12R)-5-ethyl-3,4-dihydroxy-9-((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-11-((2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methyl(propan-2-yl)amino)oxan-2-yl)oxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo(10.2.1)pentadec-1(14)-en-7-oneRefChem:923292DTXCID101030510
Show more names
EM574 [Motilide]EM574 (Idremcinal)8,9-Didehydro-N-demethyl-9-deoxo-6-deoxy-6,9-epoxy-N-(1-methylethyl)-erythromycin3''-N-Isopropyl-3''-N-demethyl-6-deoxy-9-deoxo-8,9-didehydro-6,9-epoxyerythromycin
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 8
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,270
Physicochemical properties
- solubility
- DMSO: soluble; Ethanol: soluble; Methanol: soluble
- form
- White to off-white powder.
- color
- White to off-white
- FDA UNII
- 0 M6189XXJN · 0M6189XXJN
Chemistry & industry
Applications
UsesGastrointestinal prokinetic (motilin agonist).
UsesEM574 is an erythromycin derivative that is a motilin receptor antagonist.
Suppliers14 total
北京华美互利生物化工010-56205725 · [email protected]
Aladdin Scientific[email protected]
銳迪國際科技有限公司18024082417 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
BOC Sciences16314854226 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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