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Roxithromycin

CAS Registry Number®

80214-83-1

CAS Name

Roxithromycin

Molecular Formula

C41H76N2O15

Molecular Mass

837.05

Cite this Page

Roxithromycin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=80214-83-1 (retrieved 2024-11-25) (CAS RN: 80214-83-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    122-126 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C41H76N2O15/c1-15-29-41(10,49)34(45)24(4)31(42-53-21-52-17-16-50-13)22(2)19-39(8,48)36(58-38-32(44)28(43(11)12)18-23(3)54-38)25(5)33(26(6)37(47)56-29)57-30-20-40(9,51-14)35(46)27(7)55-30/h22-30,32-36,38,44-46,48-49H,15-21H2,1-14H3/b42-31+/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1

InChIKey

InChIKey=RXZBMPWDPOLZGW-XMRMVWPWSA-N

SMILES

O([C@H]1[C@H](C)[C@@H](O[C@H]2[C@H](O)[C@@H](N(C)C)C[C@@H](C)O2)[C@](C)(O)C[C@@H](C)/C(=N\OCOCCOC)/[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C)[C@H]3C[C@](OC)(C)[C@@H](O)[C@H](C)O3

Canonical SMILES

O=C1OC(CC)C(O)(C)C(O)C(C(=NOCOCCOC)C(C)CC(O)(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)C(OC3OC(C)C(O)C(OC)(C)C3)C1C)C

Other Names for this Substance

  • Erythromycin, 9-[O-[(2-methoxyethoxy)methyl]oxime], (9E)-
  • Oxacyclotetradecane, erythromycin deriv.
  • RU 28965
  • Roxithromycin
  • Rulid

View All

Deleted or Replaced CAS Registry Numbers

102483-87-4, 1460313-72-7

CAS INSIGHTSTM
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