Erythromycin acistrate

CAS Registry Number®

96128-89-1
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CAS Name

Erythromycin acistrate

Molecular Formula

C39H69NO14.C18H36O2

Cite this Page

Erythromycin acistrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=96128-89-1 (retrieved 2024-05-07) (CAS RN: 96128-89-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H69NO14.C18H36O2/c1-15-27-39(11,47)32(43)21(4)29(42)19(2)17-37(9,46)34(54-36-31(51-25(8)41)26(40(12)13)16-20(3)49-36)22(5)30(23(6)35(45)52-27)53-28-18-38(10,48-14)33(44)24(7)50-28;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h19-24,26-28,30-34,36,43-44,46-47H,15-18H2,1-14H3;2-17H2,1H3,(H,19,20)/t19-,20-,21+,22+,23-,24+,26+,27-,28+,30+,31-,32-,33+,34-,36+,37-,38-,39-;/m1./s1

InChIKey

InChIKey=FPEVNWDVXZGKCD-SAVXWCSHSA-N

SMILES

O([C@H]1[C@H](OC(C)=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.C(CCCCCCCCCCC)CCCCCC(O)=O

Canonical SMILES

O=C(O)CCCCCCCCCCCCCCCCC.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)C

Other Names for this Substance

  • Erythromycin, 2′-acetate, octadecanoate (salt)
  • Oxacyclotetradecane, erythromycin deriv.
  • Octadecanoic acid, compd. with erythromycin 2′-acetate (1:1)
  • Erythromycin acistrate
  • Erasis

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