Erythromycin estolate

CAS Registry Number®

3521-62-8
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CAS Name

Erythromycin estolate

Molecular Formula

C40H71NO14.C12H26O4S

Cite this Page

Erythromycin estolate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=3521-62-8 (retrieved 2024-04-29) (CAS RN: 3521-62-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    137 °C (decomp)

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C40H71NO14.C12H26O4S/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3;2-12H2,1H3,(H,13,14,15)/t20-,21-,22+,23+,24-,25+,26+,27-,29+,31+,32-,33-,34+,35-,37+,38-,39-,40-;/m1./s1

InChIKey

InChIKey=AWMFUEJKWXESNL-JZBHMOKNSA-N

SMILES

C(CCCCCCCCCC)COS(=O)(=O)O.O([C@H]1[C@H](OC(CC)=O)[C@@H](N(C)C)C[C@@H](C)O1)[C@@H]2[C@@H](C)[C@H](O[C@H]3C[C@](OC)(C)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)C(=O)[C@H](C)C[C@@]2(C)O

Canonical SMILES

O=C(OC1C(OC(C)CC1N(C)C)OC2C(C)C(OC3OC(C)C(O)C(OC)(C)C3)C(C(=O)OC(CC)C(O)(C)C(O)C(C(=O)C(C)CC2(O)C)C)C)CC.O=S(=O)(O)OCCCCCCCCCCCC

Other Names for this Substance

  • Erythromycin, 2′-propanoate, dodecyl sulfate (1:1)
  • Erythromycin, 2′-propionate, dodecyl sulfate (salt)
  • Erythromycin, 2′-propanoate, dodecyl sulfate (salt)
  • Erythromycin, propionate, compd. with dodecyl sulfate
  • Propionic acid, 2′-ester with erythromycin, dodecyl sulfate salt

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Deleted or Replaced CAS Registry Numbers

12167-63-4, 28375-06-6, 31261-46-8

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