Cas no 62013-04-1 (Dirithromycin)
Dirithromycin structure
Product Name:Dirithromycin
CAS No:62013-04-1
MF:C42H78N2O14
MW:835.073734760284
MDL:MFCD00865041
CID:57817
PubChem ID:329825077
Update Time:2025-04-18
Dirithromycin Chemical and Physical Properties
Names and Identifiers
-
- Dirithromycin
- Dirithomycin
- LY-237216
- [9S(R)]-9-DEOXO-11-DEOXY-9,11-[IMINO[2-(2-METHOXY)ETHYLIDENE]OXY]ERTHROMYCIN
- LY237216
- Dirithromycin(DRM)
- 4,16-Dioxa-14-azabicyclo[11.3.1]heptadecan-5-one
- Antibiotic AS-E 136
- ASE 136
- Dirythromycin
- Dynabac
- Noriclan
- Valodin
- QE-340M
- [9S(R)]-9-Deoxo-11-deoxy-9,11-[imino[2-(2-methoxyethoxy)ethylidene]oxy]erythromycin
- 9-(4-Dimethylamino-3-hydroxy-6-methyl-oxan-2-yl)oxy-3-ethyl-2,10-dihydroxy-7-(5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl)o
- 9-(4-Dimethylamino-3-hydroxy-6-methyl-oxan-2-yl)oxy-3-ethyl-2,10-dihydroxy-7-(5-hydroxy-4-methoxy-4,6-dimethyl-oxan-2-yl)oxy-15-(2-methoxyethoxymethyl)-2,6,8,10,12,17-hexamethyl-4,16-dioxa-14-azabicyclo[11.3.1]heptadecan-5-one
- DSSTox_CID_28882
- DSSTox_RID_83150
- DSSTox_GSID_48956
- WLOHNSSYAXHWNR-NXPDYKKBSA-N
- Tox21_113385
- LY 237216
- SpecPlus_000868
- DIRITHROMYCIN (EP MONOGRAPH)
- KBio2_007092
- SR-05000001888-1
- MLS000028564
- MFCD00865041
- CHEBI:474014
- CCRIS 9506
- CHEMBL3039471
- Dirithromycinum
- [9S(R)]-9-Deoxo-11-deoxy-9,11-[imino[2-(2-methoxy)ethylidene]oxy]erthromycin; LY-237216
- D03865
- UNII-1801D76STL
- 1801D76STL
- BDBM59397
- BPBio1_000697
- Dirithromycin (USAN:USP:INN:BAN)
- Dirithromycin (USP/INN)
- (1S,2R,4R,5R,6S,7S,8R,11R,12R,13R,15R,17S)-5-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-11-ethyl-4,12-dihydroxy-7-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-15-(2-methoxyethoxymethyl)-2,4,6,8,12,17-hexamethyl-10
- Dirithromycine
- DIRITHROMYCIN [INN]
- CCG-39072
- (1S,2R,4R,5R,6S,7S,8R,11R,12R,13R,15R,17S)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-11-ethyl-4,12-dihydroxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-15-(2-methoxyethoxymethyl)-2,4,6,8,12,17-hexamethyl-10,14-dioxa-16-azabicyclo[11.3.1]heptadecan-9-one
- HMS2096P15
- (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,15R,17S)-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2,10-dihydroxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-15-(2-methoxyethoxymethyl)-2,6,8,10,12,17-hexamethyl-4,16-dioxa-14-azabicyclo[11.3.1]heptadecan-5-one
- NCGC00178154-03
- DIRITHROMYCIN [VANDF]
- DIRITHROMYCIN [USP IMPURITY]
- (9S)-9-Deoxo-11-deoxy-9,11-(imino((1R)-2-(2-methoxyethoxy)ethylidene)oxy)erythromycin
- BSPBio_000633
- J01FA13
- DIRITHROMYCIN [MI]
- DIRITHROMYCIN [MART.]
- Erythromycin, 9-deoxo-11-deoxy-9,11-(imino(2-(2-methoxyethoxy)ethylidene)oxy)-,(9S(R))-
- cid_6473883
- KBio2_004524
- NSC-758672
- BSPBio_003299
- Diritromicina
- SPECTRUM1504144
- HMS1922D13
- SR-01000721832
- Spectrum5_000715
- CHEMBL1237072
- Erythromycin, 9-deoxo-11-deoxy-9,11-(imino(2-(2-methoxyethoxy)ethylidene)oxy)-, (9S(R))-
- A833532
- (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,15R,17S)-3-ethyl-2,10-dihydroxy-15-((2-methoxyethoxy)methyl)-2,6,8,10,12,17-hexamethyl-5-oxo-9-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)-4,16-dioxa-14-azabicyclo(11.3.1)heptadec-7-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside
- DIRITHROMYCIN [EP MONOGRAPH]
- HMS2093A06
- AB00513862
- KBioSS_001956
- ASE-136
- Dynabac (TN)
- DIRITHROMYCIN (USP IMPURITY)
- SR-01000721832-3
- NS00011655
- SPBio_001809
- Spectrum3_001630
- Dirithromycine [French]
- (1S,2R,4R,5R,6S,7S,8R,11R,12R,13R,15R,17S)-5-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-11-ethyl-4,12-dihydroxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-15-(2-methoxyethoxymethyl)-2,4,6,8,12,17-hexamethyl-10,14-dioxa-16-azabicyclo[11.3.1]heptadecan-9-one
- DTXCID4028882
- Dirithromycinum [Latin]
- DIRITHROMYCIN (EP IMPURITY)
- AB00053192_13
- NCGC00178154-01
- AS-E 136
- Spectrum_001476
- DIRITHROMYCIN (USP-RS)
- (1S,2R,3R,6R,7S,8S,9R,10R,12R,13S,15R,17S)-9-[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2,10-dihydroxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-15-(2-methoxyethoxymethyl)-2,6,8,10,12,17-hexamethyl-4,16-dioxa-14-azabicyclo[11.3.1]heptadecan-5-one
- Divitross
- (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,15R,17S)-9-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3-ethyl-2,10-dihydroxy-7-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-15-((2-methoxyethoxy)methyl)-2,6,8,10,12,17-hexamethyl-4,16-dioxa-14-azabicyclo[11.3.1]heptadecan-5-one
- DIRITHROMYCIN [ORANGE BOOK]
- Opera_ID_1686
- MLS001074061
- DB00954
- (1S,2R,4R,5R,6S,7S,8R,11R,12R,13R,15R,17S)-5-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-11-ethyl-7-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-15-(2-methoxyethoxymethyl)-2,4,6,8,12,17-hexamethyl-4,12-bis(oxidanyl
- 62013-04-1
- NCGC00178154-02
- (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,15R,17S)-3-ethyl-2,10-dihydroxy-15-[(2-methoxyethoxy)methyl]-2,6,8,10,12,17-hexamethyl-5-oxo-9-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-4,16-dioxa-14-azabicyclo[11.3.1]heptadec-7-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside
- DIRITHROMYCIN (MART.)
- T72716
- GTPL12928
- SBI-0052687.P002
- KBio2_001956
- Q1989071
- Prestwick3_000557
- Diritromicina [Spanish]
- Spectrum2_001655
- DIRITHROMYCIN [USAN]
- HMS3713P15
- KBioGR_001094
- AKOS025310151
- (9S)-9-deoxo-11-deoxy-9,11-[imino[2-(2-methoxyethoxy)ethylidene]erythromycin
- Spectrum4_000597
- Dirithromycin [USAN:USP:INN:BAN]
- DI0
- KBio3_002519
- KBio1_001908
- SMR000058954
- (9S)-9-Deoxo-11-deoxy-9,11-[imino[(1R)-2-(2-methoxyethoxy)ethylidene]oxy]erythromycin
- NSC 758672
- SR-05000001888
- Dirithromycinum (Latin)
- DivK1c_006964
- (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,15R,17S)-3-ethyl-2,10-dihydroxy-15-[(2-methoxyethoxy)methyl]-2,6,8,10,12,17-hexamethyl-5-oxo-9-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-4,16-dioxa-14-azabicyclo[11.3.1]heptadecan-7-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside
- DIRITHROMYCIN [EP IMPURITY]
- DIRITHROMYCIN [WHO-DD]
- HMS2233M04
- DIRITHROMYCIN [USP-RS]
- BRD-K52756523-001-24-7
-
- MDL： MFCD00865041
- Inchi： 1S/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29-,30-,31+,32+,33-,34+,35+,36-,37-,39+,40-,41-,42-/m1/s1
- InChI Key： WLOHNSSYAXHWNR-DWIOZXRMSA-N
- SMILES： O1[C@H](COCCOC)N[C@H]2[C@H](C)C[C@](C)([C@@H]([C@@H](C)[C@@H]([C@@H](C)C(=O)O[C@H](CC)[C@](C)([C@H]1[C@H]2C)O)O[C@H]1C[C@](C)([C@H]([C@H](C)O1)O)OC)O[C@H]1[C@@H]([C@H](C[C@@H](C)O1)N(C)C)O)O
Computed Properties
- Exact Mass: 834.54500
- Monoisotopic Mass: 834.545
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 16
- Heavy Atom Count: 58
- Rotatable Bond Count: 12
- Complexity: 1300
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 20
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.2
- Topological Polar Surface Area: 196
Experimental Properties
- Color/Form: crystal
- Density: 1.19
- Melting Point: 186.0 to 190.0 deg-C
- Boiling Point: 871.8°C at 760 mmHg
- Flash Point: 481 °C
- Refractive Index: 1.533
- PSA: 196.33000
- LogP: 2.53050
- pka: 9.0 in 66% aq dimethyl fluoride
- Merck: 3354
Dirithromycin Security Information
- Signal Word：Warning
- Hazard Statement： H317
- Warning Statement： P261-P280
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
- Hazard Category Code： R42/43
- Safety Instruction： S36
- Regulatory Condition Code：Class Q (sugars, alkaloids, antibiotics, hormones)
- RTECS：JG5806477
-
Hazardous Material Identification：
- Toxicity：LD50 in mice (g/kg): >1 s.c.; >1 orally (Maier)
- Storage Condition：Powder -20°C 3 years ? 4°C 2 years In solvent -80°C 6 months ? -20°C 1 month
- Risk Phrases：R42/43
- Safety Term：S36
Dirithromycin Pricemore >>
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Dirithromycin Related Literature
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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