Chemical identity

Clindamycin Sulfone

CAS 887402-22-4 · C18H33ClN2O7S

01Identity

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

Lazychem IDLC-11139
PubChem CID172866374
NameClindamycin Sulfone
CAS RN887402-22-4
Molecular formulaC18H33ClN2O7S
Molecular weight456.98 g/mol
IUPAC name(2S,4R)-N-((1S,2S)-2-Chloro-1-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylsulfonyl)tetrahydro-2H-pyran-2-yl)propyl)-1-methyl-4-propylpyrrolidine-2-carboxamide
InChIKeyXZTQPLIWKFPNAY-AWPVFWJPSA-N

02Structure identifiers

2D structurePubChem CID 172866374
Two-dimensional chemical structure of Clindamycin Sulfone, CAS 887402-22-4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aliphatic carbon, has 9 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres9
Unassigned stereocentres0
Ring count2
Secondary amines0
Tertiary amines1
N-methyl amine sites1
SMILESCCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)S(=O)(=O)C)O)O)O)[C@H](C)Cl
InChINot listed
Formula from structureC18H33ClN2O7S
Molecular weight from structure456.98 g/mol

03Stereochemistry

The published structure contains 9 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres9Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 512Before 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 site1 candidate
Chemical structure of Clindamycin Sulfone 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 Clindamycin Sulfone, 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
C17H30ClN3O8S
Candidate SMILES
CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@H]2O[C@H](S(C)(=O)=O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](C)Cl)N(N=O)C1

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 887402-22-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 887402-22-4 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

Clindamycin

View API and impurity family

Other names

  • Clindamycin Sulfone / Clindamycin Impurity 25
  • Clindamycin Sulfone
  • Clindamycin Impurity 25
  • (2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfonyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide
  • 887402-22-4
  • Clindamycin Impurity 127
  • UQC3V7LV8P
  • Clindamycin Phosphas Impurity 45
  • (2S,4R)-N-((1S,2S)-2-chloro-1-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(methylsulfonyl)tetrahydro-2H-pyran-2-yl)propyl)-1-methyl-4-propylpyrrolidine-2-carboxamide
  • 7-Chloro-1,6,7,8-tetradeoxy-6-[[[(2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl]carbonyl]amino]-1-(methylsulfonyl)-L-threo-alpha-D-galacto-octopyranose
  • L-threo-alpha-D-galacto-Octopyranose, 7-chloro-1,6,7,8-tetradeoxy-6-[[[(2S,4R)-1-methyl-4-propyl-2-pyrrolidinyl]carbonyl]amino]-1-(methylsulfonyl)-

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