Dirithromycin | CAS No. 62013-04-1

Dirithromycin

Basic Information

CAS Number

62013-04-1

Molecular Formula

C42H78N2O14

Molecular Weight

835.1 g/mol

AD

Basic Physical Properties

Melting Point

186.0 to 190.0 deg-C

Boiling Point

871.8°C at 760 mmHg

Density

1.19

Flash Point

481 °C

Refractive Index

1.533

CCC1C(C2C(C(C(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C)O)(C)O)C)NC(O2)COCCOC)C)(C)O

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

InChIKey

WLOHNSSYAXHWNR-DWIOZXRMSA-N

LogP

2.201700000000009

pKa

9.0 in 66% aq dimethyl fluoride

Topological Polar Surface Area

196.32999999999998 Ų

Hydrogen Bond Donor/Acceptor

5 / 16

Complexity

1300

Safety Information

View Safety Information

GHS Hazard Pictograms

H317H317

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

Toxicity

LD50 in mice (g/kg): >1 s.c.; >1 orally (Maier)

Synonyms & References

English

  • GTPL12928
  • Dirithromycin [USAN:USP:INN:BAN]
  • SBI-0052687.P002
  • CHEBI:474014
  • DIRITHROMYCIN [ORANGE BOOK]
  • KBio1_001908
  • DIRITHROMYCIN (EP MONOGRAPH)
  • HMS3713P15
  • AB00513862
  • DIRITHROMYCIN [USAN]
  • KBio2_001956
  • Dirithromycin
  • Divitross
  • KBio2_004524
  • DIRITHROMYCIN (MART.)
  • MFCD00865041
  • SR-01000721832
  • 62013-04-1
  • Noriclan
  • Spectrum5_000715
  • KBioGR_001094
  • SPBio_001809
  • Diritromicina
  • NCGC00178154-03
  • CCRIS 9506
  • Dirithromycine
  • (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
  • 1801D76STL
  • (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
  • D03865
  • SMR000058954

MDL Number

MFCD00865041

Customs Code

29419000

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