Chemical identity

Azithromycin EP Impurity O

CAS 763924-54-5 · C39H74N2O12

01Identity

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

Lazychem IDLC-07487
PubChem CID71587794
NameAzithromycin EP Impurity O
CAS RN763924-54-5
Molecular formulaC39H74N2O12
Molecular weight763.01 g/mol
IUPAC name2-Desethyl-2-propylazithromycin
InChIKeyPMJMEZRLHVDXSC-SBXXAWCKSA-N

02Structure identifiers

2D structurePubChem CID 71587794
2D structure: Azithromycin EP Impurity O, CAS 763924-54-5
Structure of Azithromycin EP Impurity O (CAS 763924-54-5). LazyChem record. Source identity: PubChem CID 71587794. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC39H74N2O12
InChIKeyPMJMEZRLHVDXSC-SBXXAWCKSA-N
Ring count3
Defined stereocentres18
Unassigned stereocentres0
SMILESCCC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O
InChIInChI=1S/C39H74N2O12/c1-15-16-28-39(10,47)32(43)25(6)41(13)20-21(2)18-37(8,46)34(53-36-30(42)27(40(11)12)17-22(3)49-36)23(4)31(24(5)35(45)51-28)52-29-19-38(9,48-14)33(44)26(7)50-29/h21-34,36,42-44,46-47H,15-20H2,1-14H3/t21-,22-,23+,24-,25-,26+,27+,28-,29+,30-,31+,32-,33+,34-,36+,37-,38-,39-/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

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 Azithromycin EP Impurity O, CAS 763924-54-5
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 763924-54-5 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 763924-54-5 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Names and relationships

Associated parent compound

Azithromycin

View API and impurity family

Other names

  • (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-2-propyl-1-oxa-6-azacyclopentadecan-15-one
  • Azithromycin EP Impurity O/ 2-Desethyl-2-propylazithromycin

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