Erythromycin, N-demethyl-N-(1-oxopropyl)-

CAS Registry Number®

147702-49-6
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CAS Name

Erythromycin, N-demethyl-N-(1-oxopropyl)-

Molecular Formula

C39H69NO14

Molecular Mass

775.96

Cite this Page

Erythromycin, N-demethyl-N-(1-oxopropyl)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=147702-49-6 (retrieved 2024-05-04) (CAS RN: 147702-49-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=SPDJWXMXZVPSAJ-OGILNJMJSA-N

SMILES

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(CC)=O)C)C[C@@H](C)O3

Canonical SMILES

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

Other Names for this Substance

  • Erythromycin, N-demethyl-N-(1-oxopropyl)-
  • Oxacyclotetradecane, erythromycin deriv.
  • N-Propionyl-N-demethylerythromycin A

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