Chemical identity

Erythromycin A 6,9-Imino Ether

CAS 99290-97-8 · C37H66N2O12

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-14357
PubChem CID11445548
NameErythromycin A 6,9-Imino Ether
CAS RN99290-97-8
Molecular formulaC37H66N2O12
Molecular weight730.93 g/mol
IUPAC name(3R,4R,5S,6R,9R,10S,11S,12R,15R,Z)-12-(((2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6-ethyl-4,5-dihydroxy-10-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-3,5,9,11,13,15-hexamethyl-7,16-dioxa-2-azabicyclo[11.2.1]hexadec-1-en-8-one
InChIKeyBPENQAXMHXRNMD-XBWOTNPQSA-N

02Structure identifiers

2D structurePubChem CID 11445548
2D structure: Erythromycin A 6,9-Imino Ether, CAS 99290-97-8
Structure of Erythromycin A 6,9-Imino Ether (CAS 99290-97-8). LazyChem record. Source identity: PubChem CID 11445548. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC37H66N2O12
InChIKeyBPENQAXMHXRNMD-XBWOTNPQSA-N
Ring count4
Defined stereocentres18
Unassigned stereocentres0
SMILESCC[C@@H]1[C@@]([C@@H]([C@H](N=C2[C@@H](C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)C)C)C)O)(C)O
InChIInChI=1S/C37H66N2O12/c1-14-25-37(10,44)29(41)22(6)38-32-18(2)16-36(9,51-32)31(50-34-27(40)24(39(11)12)15-19(3)46-34)20(4)28(21(5)33(43)48-25)49-26-17-35(8,45-13)30(42)23(7)47-26/h18-31,34,40-42,44H,14-17H2,1-13H3/t18-,19-,20+,21-,22-,23+,24+,25-,26+,27-,28+,29-,30+,31-,34+,35-,36-,37-/m1/s1

03Stereochemistry

The published structure contains 18 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres182D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 262,144Before symmetry reduction

Published same-connectivity configurations

2 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Possible N-nitroso structures

A record-level structural review indicates a possible N-nitroso candidate. This is not a confirmed impurity, formation prediction or analytical finding.

Possible structure candidateUnconfirmed identity
Possible N-nitroso structural candidate related to Erythromycin A 6,9-Imino Ether, CAS 99290-97-8
No CAS number, formation claim or analytical confirmation is assigned.

A structural result alone does not establish that a nitrosamine forms. A process-specific and analytical assessment is required.

05India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 99290-97-8 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 99290-97-8 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Names and relationships

Associated parent compound

Erythromycin

View API and impurity family

Other names

  • Erythromycin A imino ester Impurity
  • Erythromycin A 6,9-imino ether
  • 7,16-DIOXA-2-AZABICYCLO(11.2.1)HEXADEC-1-EN-8-ONE, 10-((2,6-DIDEOXY-3-C-METHYL-3-O-METHYL-.ALPHA.-L-RIBO-HEXOPYRANOSYL)OXY)-6-ETHYL-4,5-DIHYDROXY-3,5,9,11,13,15-HEXAMETHYL-12-((3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-.BETA.-D-XYLO-HEXOPYRANOSYL)OXY)-, (1Z,3R,4R,5S,6R,9R,10S,11S,12R,13R,15R)-
  • EC 619-419-0
  • (3R,4R,5S,6R,9R,10S,11S,12R,13R,15R)-12-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-6-ethyl-4,5-dihydroxy-10-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,9,11,13,15-hexamethyl-7,16-dioxa-2-azabicyclo[11.2.1]hexadec-1-en-8-one
  • 7,16-Dioxa-2-azabicyclo[11.2.1]hexadec-1-en-8-one,10-[(2,6-dideoxy-3-C-methyl-3-O-methyl-a-L-ribo-hexopyranosyl)oxy]-6-ethyl-4,5-dihydroxy-3,5,9,11,13,15-hexamethyl-12-[[3,4,6-trideoxy-3-(dimethylamino)-b-D-xylo-hexopyranosyl]oxy]-,(1Z,3R,4R,5S,6R,9R,10S,11S,12R,13R,15R)-
  • [3R-(3R*,4R*,5S*,6R*,9R*,10S*,11S*,12R*,13R*,15R*)]-10-[(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl)oxy]-6-ethyl-4,5-dihydroxy-3,5,9,11,13,15-hexamethyl-12-[[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy]-16-Dioxa-2-azabicyclo[

Related records from the same parent family

07Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

08Sources