Dirithromycin

CAS Registry Number®

62013-04-1
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CAS Name

Dirithromycin

Molecular Formula

C42H78N2O14

Molecular Mass

835.07

Cite this Page

Dirithromycin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=62013-04-1 (retrieved 2024-02-21) (CAS RN: 62013-04-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    186-189 °C (decomp)

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

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

InChIKey=WLOHNSSYAXHWNR-DWIOZXRMSA-N

SMILES

C[C@@H]1[C@]2(O[C@H](COCCOC)N[C@]1([C@H](C)C[C@@](C)(O)[C@H](O[C@H]3[C@H](O)[C@@H](N(C)C)C[C@@H](C)O3)[C@@H](C)[C@H](O[C@H]4C[C@](OC)(C)[C@@H](O)[C@H](C)O4)[C@@H](C)C(=O)O[C@H](CC)[C@@]2(C)O)[H])[H]

Canonical SMILES

O=C1OC(CC)C(O)(C)C2OC(NC(C(C)CC(O)(C)C(OC3OC(C)CC(N(C)C)C3O)C(C)C(OC4OC(C)C(O)C(OC)(C)C4)C1C)C2C)COCCOC

Other Names for this Substance

  • 4,16-Dioxa-14-azabicyclo[11.3.1]heptadecan-5-one, 7-[(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-3-ethyl-2,10-dihydroxy-15-[(2-methoxyethoxy)methyl]-2,6,8,10,12,17-hexamethyl-9-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-, (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,15R,17S)-
  • Erythromycin, 9-deoxo-11-deoxy-9,11-[imino[2-(2-methoxyethoxy)ethylidene]oxy]-, [9S(R)]-
  • 4,16-Dioxa-14-azabicyclo[11.3.1]heptadecane, erythromycin deriv.
  • (1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,15R,17S)-7-[(2,6-Dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-3-ethyl-2,10-dihydroxy-15-[(2-methoxyethoxy)methyl]-2,6,8,10,12,17-hexamethyl-9-[[3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl]oxy]-4,16-dioxa-14-azabicyclo[11.3.1]heptadecan-5-one
  • Antibiotic AS-E 136

Deleted or Replaced CAS Registry Numbers

77045-98-8

CAS INSIGHTSTM
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