Erythromycin, compd. with N-acetyl-L-cysteine 2-hydroxybenzoate (ester) (1:1)

CAS Registry Number®

87573-04-4

CAS Name

Erythromycin, compd. with N-acetyl-L-cysteine 2-hydroxybenzoate (ester) (1:1)

Molecular Formula

C37H67NO13.C12H13NO5S

Cite this Page

Erythromycin, compd. with N-acetyl-L-cysteine 2-hydroxybenzoate (ester) (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=87573-04-4 (retrieved 2024-11-25) (CAS RN: 87573-04-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H67NO13.C12H13NO5S/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;1-7(14)13-9(11(16)17)6-19-12(18)8-4-2-3-5-10(8)15/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;2-5,9,15H,6H2,1H3,(H,13,14)(H,16,17)/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-;9-/m10/s1

InChIKey

InChIKey=CEKAAZRHRXXWDX-CQWDQVLCSA-N

SMILES

C(SC[C@H](NC(C)=O)C(O)=O)(=O)C1=C(O)C=CC=C1.O([C@@H]1[C@@H](C)[C@H](O[C@H]2C[C@](OC)(C)[C@@H](O)[C@H](C)O2)[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@@]1(C)O)[C@H]3[C@H](O)[C@@H](N(C)C)C[C@@H](C)O3

Canonical SMILES

O=C(O)C(NC(=O)C)CSC(=O)C=1C=CC=CC1O.O=C1OC(CC)C(O)(C)C(O)C(C(=O)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, compd. with N-acetyl-L-cysteine 2-hydroxybenzoate (ester) (1:1)
  • L-Cysteine, N-acetyl-, 2-hydroxybenzoate (ester), compd. with erythromycin (1:1)
  • Oxacyclotetradecane, erythromycin deriv.
  • SCY-Er
  • Erythromycin salnacedin

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