Chemical identity

Erythromycin Ethyl Fumarate

CAS 122293-08-7 · C43H73NO16

01Identity

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

Lazychem IDLC-14382
PubChem CID171379944
NameErythromycin Ethyl Fumarate
CAS RN122293-08-7
Molecular formulaC43H73NO16
Molecular weight860.05 g/mol
IUPAC name(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-[(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribohexopyranosyl)oxy]-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-6-[[3,4,6-trideoxy-3-(dimethyl amino)-2-O-(4-ethoxy-4- oxo-2(E)-buta-2-noyl)-β-D-xylohexopyranosyl]oxy]oxacyclotetradecane-2,10-dione
InChIKeyZOOVCVGVILSIOB-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 171379944
2D structure: Erythromycin Ethyl Fumarate, CAS 122293-08-7
Structure of Erythromycin Ethyl Fumarate (CAS 122293-08-7). LazyChem record. Source identity: PubChem CID 171379944. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC43H73NO16
InChIKeyZOOVCVGVILSIOB-UHFFFAOYSA-N
Ring count3
Defined stereocentres0
Unassigned stereocentres18
SMILESCCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)OC(=O)C=CC(=O)OCC)(C)O)C)C)O)(C)O
InChIInChI=1S/C43H73NO16/c1-15-29-43(11,52)36(48)24(5)33(47)22(3)20-41(9,51)38(25(6)34(26(7)39(50)57-29)59-32-21-42(10,53-14)37(49)27(8)56-32)60-40-35(28(44(12)13)19-23(4)55-40)58-31(46)18-17-30(45)54-16-2/h17-18,22-29,32,34-38,40,48-49,51-52H,15-16,19-21H2,1-14H3

03Stereochemistry

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

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

Published same-connectivity configurations

1 record

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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 Ethyl Fumarate, CAS 122293-08-7
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 122293-08-7 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 122293-08-7 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

  • (2S,3R,4S,6R)-4-(Dimethylamino)-2-(((3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetradecan-6-yl)oxy)-6-methyltetrahydro-2H-pyran-3-yl ethyl Fumarate
  • 4-O-[4-(dimethylamino)-2-[[14-ethyl-7,12,13-trihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-6-methyloxan-3-yl] 1-O-ethyl but-2-enedioate
  • 2?-(Ethyl fumarate) Erythromycin

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