Cas no 84252-03-9 (Estinoprato de eritromicina [Spanish])
84252-03-9 structure
Product Name:Estinoprato de eritromicina [Spanish]
CAS No:84252-03-9
MF:C45H80N2O17S
MW:953.184914588928
CID:725465
PubChem ID:71276
Update Time:2025-04-19
Estinoprato de eritromicina [Spanish] Chemical and Physical Properties
Names and Identifiers
-
- Estinoprato de eritromicina [Spanish]
- ERYTHROMYCIN STINOPRATE
- (2R)-2-acetamido-3-sulfanylpropanoic acid;[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] propanoate
- UNII-M6S6O570YO
- Stinoprate d'erythromycie [French]
- Erythromycinstinoprat
- 84252-03-9
- Erythromycin stinoprate [INN]
- Erysec (TN)
- SCHEMBL419684
- Erythromycini stinopras
- Q27283563
- M6S6O570YO
- D07910
- Erythromycin 2'-propionate, compound with N-acetyl-L-cysteine (1:1)
- Erythromycin propionate-N-acetylcysteinate
- Erysec
- Erythromycin stinoprate (INN)
- Estinoprato de eritromicina
- Erythromycini stinopras [Latin]
- ERYTHROMYCIN STINOPRATE [WHO-DD]
- AKOS015896271
- Stinoprate d'erythromycie
-
- Inchi: 1S/C40H71NO14.C5H9NO3S/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29;1-3(7)6-4(2-10)5(8)9/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3;4,10H,2H2,1H3,(H,6,7)(H,8,9)/t20-,21-,22+,23+,24-,25+,26+,27-,29+,31+,32-,33-,34+,35-,37+,38-,39-,40-;4-/m10/s1
- InChI Key: HXKNXCFNAJGZCM-PWOIWMLJSA-N
- SMILES: SC[C@@H](C(=O)O)NC(C)=O.O([C@H]1[C@@H]([C@H](C[C@@H](C)O1)N(C)C)OC(CC)=O)[C@H]1[C@@](C)(C[C@@H](C)C([C@H](C)[C@H]([C@@](C)([C@@H](CC)OC([C@H](C)[C@H]([C@@H]1C)O[C@H]1C[C@](C)([C@H]([C@H](C)O1)O)OC)=O)O)O)=O)O
Computed Properties
- Exact Mass: 952.51777026g/mol
- Monoisotopic Mass: 952.51777026g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 19
- Heavy Atom Count: 65
- Rotatable Bond Count: 13
- Complexity: 1450
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 19
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 267?2
Estinoprato de eritromicina [Spanish] Related Literature
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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