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AG019FVM

Name: Dirithromycin
Brand: Angene Chemical
SKU: AG019FVM

62013-04-1 | Dirithromycin

Chemical structure of Dirithromycin, CAS 62013-04-1

AG019FVM

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CAS Number	62013-04-1
Catalog Number	AG019FVM(AGN-PC-0T2JCA)
Chemical Name	Dirithromycin
IUPAC Name	(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
InChI	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
MDL Number	MFCD00865041
Molecular Formula	C42H78N2O14
Molecular Weight	835.0737
SMILES	CC1[C@@]([C@](O)([C@H](OC([C@@H]2C)=O)CC)C)([H])O[C@H](COCCOC)N[C@@]1([H])[C@](C[C@@](O)([C@@H]([C@@H](C)[C@]2([H])O[C@@](O[C@@H](C)[C@@H]3O)([H])C[C@@]3(C)OC)O[C@@](O[C@H](C)C[C@@H]4N(C)C)([H])[C@@H]4O)C)([H])C
UNII	1801D76STL
Synonyms	(9S)-9-deoxo-11-deoxy-9,11-(imino((1R)-2-(2-methoxyethoxy)ethylidene)oxy)erythromycin, dirithromycin, Dynabac, LY 237216, LY-237216, Nortron, Dirithromycin, Dirithromycine, Dirithromycinum, Diritromicina, 62013-04-1, Dynabac, LY 237216, LY-237216, UNII-1801D76STL, MLS000028564, SMR000058954, (9S)-9-Deoxo-11-deoxy-9,11-(imino((1R)-2-(2-methoxyethoxy)ethylidene)oxy)erythromycin, MLS001074061, CHEBI:474014, 1801D76STL, Dirithromycine [French], Dirithromycinum [Latin], Diritromicina [Spanish], (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, Divitross, Noriclan, Valodin, CCRIS 9506, Erythromycin, 9-deoxo-11-deoxy-9,11-(imino(2-(2-methoxyethoxy)ethylidene)oxy)-, (9S(R))-, NCGC00178154-03, Dynabac (TN), Dirithromycin [USAN:USP:INN:BAN], Spectrum_001476, SpecPlus_000868, Opera_ID_1686, Prestwick3_000557, Spectrum2_001655, Spectrum3_001630, Spectrum4_000597, Spectrum5_000715, Dirithromycin (USP/INN), AC1O6F4R, BSPBio_000633, BSPBio_003299, KBioGR_001094, KBioSS_001956, DivK1c_006964, SPECTRUM1504144, SPBio_001809, BPBio1_000697, CHEMBL1237072, CHEMBL3039471, BDBM59397, cid_6473883, KBio1_001908, KBio2_001956, KBio2_004524, KBio2_007092, KBio3_002519, ASE 136, ASE-136, HMS1922D13, HMS2093A06, HMS2096P15, HMS2233M04, HMS3713P15, [9S(R)]-9-Deoxo-11-deoxy-9,11-[imino[2-(2-methoxy)ethylidene]oxy]erthromycin; LY-237216, AS-E 136, CCG-39072, MFCD00865041, ZINC96095661, AKOS025310151, DB00954, NCGC00178154-01, NCGC00178154-02, SBI-0052687.P002, AB00513862, D03865, J10400, AB00053192_13, 013D041, A833532, SR-01000721832, SR-05000001888, SR-01000721832-3, SR-05000001888-1, (9S)-9-deoxo-11-deoxy-9,11-[imino[2-(2-methoxyethoxy)ethylidene]erythromycin, (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, (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, (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, (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, dirythromycin, NORTRON, Dirithromycin [USAN:BAN:INN], Dirithromycin [USAN:INN:BAN], C42H78N2O14, C42-H78-N2-O14, CID6473883, B1731, C053853, [9S(R)]-9-deoxo-11-deoxy-9,11-[imino[2-(2-methoxyethoxy)ethylidene]oxy]erythromycin,

Complexity	1300
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	20
Defined Bond Stereocenter Count	0
Exact Mass	834.545g/mol
Formal Charge	0
Heavy Atom Count	58
Hydrogen Bond Acceptor Count	16
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	835.086g/mol
Monoisotopic Mass	834.545g/mol
Rotatable Bond Count	12
Topological Polar Surface Area	196A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317
Packing Group
Precautionary statements	P261-P280
UN Code

Related Research Chemicals

CERTIFICATE OF ANALYSIS

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Chemical Structure:	CAS Registry No:
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Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited