Chemical identity

Clarithromycin EP Impurity N / Clarithromycin Impurity N

CAS 144604-03-5 · C38H67NO12

01Identity

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

Lazychem IDLC-10987
PubChem CID12148839
NameClarithromycin EP Impurity N / Clarithromycin Impurity N
CAS RN144604-03-5
Molecular formulaC38H67NO12
Molecular weight729.94
IUPAC name(10E)-10,11-Didehydro-11-deoxy-6-O-methylerythromycin A ;
InChIKeyXBRPMQCVVSGOJB-LUHVZOSXSA-N

02Structure identifiers

2D structurePubChem CID 12148839
2D structure: Clarithromycin EP Impurity N / Clarithromycin Impurity N, CAS 144604-03-5
Structure of Clarithromycin EP Impurity N / Clarithromycin Impurity N (CAS 144604-03-5). LazyChem record. Source identity: PubChem CID 12148839. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC38H67NO12
InChIKeyXBRPMQCVVSGOJB-LUHVZOSXSA-N
Ring count3
Defined stereocentres16
Unassigned stereocentres0
SMILESCC[C@@H]1[C@@](/C=C(/C(=O)[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)OC)C)\C)(C)O
InChIInChI=1S/C38H67NO12/c1-15-27-36(8,44)17-20(2)29(40)21(3)18-38(10,46-14)33(51-35-30(41)26(39(11)12)16-22(4)47-35)23(5)31(24(6)34(43)49-27)50-28-19-37(9,45-13)32(42)25(7)48-28/h17,21-28,30-33,35,41-42,44H,15-16,18-19H2,1-14H3/b20-17+/t21-,22-,23+,24-,25+,26+,27-,28+,30-,31+,32+,33-,35+,36+,37-,38-/m1/s1

03Stereochemistry

The published structure contains 16 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres162D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 65,536Before 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 Clarithromycin EP Impurity N / Clarithromycin Impurity N, CAS 144604-03-5
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 144604-03-5 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 144604-03-5 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Names and relationships

Associated parent compound

Clarithromycin

View API and impurity family

Other names

  • Clarithromycin Impurity N
  • (10E)-10,11-Didehydro-11-deoxy-6-O-methylerythromycin
  • Oxacyclotetradecane Erythromycin Derivative
  • (3R,4S,5S,6R,7R,9R,11E,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-13-hydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradec-11-ene-2,10-dione
  • (10E)-10,11-Didehydro-11-deoxy-6-O-methylerythromycin A
  • Oxacyclotetradecane, erythromycin deriv.

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