Chemical identity

3-Hydroxy Azithromycinoic Acid

CAS 2365312-76-9 · C30H60N2O10

01Identity

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

Lazychem IDLC-02544
PubChem CID176473239
Name3-Hydroxy Azithromycinoic Acid
CAS RN2365312-76-9
Molecular formulaC30H60N2O10
Molecular weight608.81 g/mol
IUPAC name(2R,3S,4S,5R,6R,8R)-5-(((2S,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3,6-dihydroxy-2,4,6,8-tetramethyl-9-(methyl((2R,3R,4R,5R)-3,4,5-trihydroxy-4-methylheptan-2-yl)amino)nonanoate
InChIKeyZRCSBIYRGBEULX-SPJQPUFXSA-N

02Structure identifiers

2D structurePubChem CID 176473239
Two-dimensional chemical structure of 3-Hydroxy Azithromycinoic Acid, CAS 2365312-76-9
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aliphatic carbon, has 10 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres10
Unassigned stereocentres4
Ring count1
Secondary amines0
Tertiary amines2
N-methyl amine sites3
SMILESCC[C@H]([C@](C)([C@@H]([C@@H](C)N(C)C[C@H](C)C[C@](C)([C@@H]([C@@H](C)[C@@H]([C@@H](C)C(=O)O)O)OC1C(C(CC(O1)C)N(C)C)O)O)O)O)O
InChINot listed
Formula from structureC30H60N2O10
Molecular weight from structure608.81 g/mol

03Stereochemistry

The published structure contains 10 defined and 4 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres10Structure assigned
Unassigned centres4Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 16,384Before 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

Shown for structural screening only. These candidates are not confirmed impurities, formation predictions or analytical findings.

Matched amine site2 candidates
Chemical structure of 3-Hydroxy Azithromycinoic Acid with the matched amine site highlighted in amber
Amber identifies the screened atom and adjacent bonds.
Possible structure candidateUnverified identity
First calculated possible N-nitroso structure derived from 3-Hydroxy Azithromycinoic Acid, with the new N-nitroso group highlighted in amber
The new N-N=O atoms and bonds are highlighted. No CAS number or compound name is assigned by this calculation.
Candidate 1Possible N-nitroso structural candidate
Calculated formula
C29H57N3O11
Candidate SMILES
CC[C@@H](O)[C@@](C)(O)[C@H](O)[C@@H](C)N(C[C@H](C)C[C@@](C)(O)[C@H](OC1OC(C)CC(N(C)C)C1O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)O)N=O
Candidate 2Possible N-nitroso structural candidate
Calculated formula
C29H57N3O11
Candidate SMILES
CC[C@@H](O)[C@@](C)(O)[C@H](O)[C@@H](C)N(C)C[C@H](C)C[C@@](C)(O)[C@H](OC1OC(C)CC(N(C)N=O)C1O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)O

Interpretation: A structural alert alone does not establish that a nitrosamine forms. Evaluate nitrite sources, amine reagents, pH, temperature, process sequence, purge and analytical evidence.

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 / RCSNO EXACT MATCH FOUNDCAS 2365312-76-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2365312-76-9 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

06Names and relationships

Associated parent compound

Azithromycin

View API and impurity family

Other names

  • (2R,3S,4S,5R,6R,8R)-5-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3,6-dihydroxy-2,4,6,8-tetramethyl-9-[methyl-[(2R,3R,4R,5R)-3,4,5-trihydroxy-4-methylheptan-2-yl]amino]nonanoic acid
  • 2365312-76-9

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