API and parent drug

Clindamycin Phosphate

CAS 24729-96-2 · C18H34ClN2O8PS · 1 related records

01API identity and structure

2D structurePubChem CID 443385
2D structure: Clindamycin Phosphate, CAS 24729-96-2
Structure of Clindamycin Phosphate (CAS 24729-96-2). LazyChem record. Source identity: PubChem CID 443385. Confirm the identifiers before analytical use.Download structure image
API / medicine nameClindamycin Phosphate
CAS RN24729-96-2
PubChem CID443385
Molecular formulaC18H34ClN2O8PS
Molecular weight505.0 g/mol
IUPAC name[(2R,3R,4S,5R,6R)-6-[(1S,2S)-2-chloro-1-[[(2S,4R)-1-methyl-4-propylpyrrolidine-2-carbonyl]amino]propyl]-4,5-dihydroxy-2-methylsulfanyloxan-3-yl] dihydrogen phosphate
Defined stereocentres9
Unassigned stereocentres0
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)SC)OP(=O)(O)O)O)O)[C@H](C)Cl
InChINot listed
InChIKeyUFUVLHLTWXBHGZ-MGZQPHGTSA-N

02Stereochemistry

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

Defined stereocentres92D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 512Before symmetry reduction

Published same-connectivity configurations

3 records

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.

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.

03Structural nitrosamine screen

Record-level resultNo candidate is published

No record-level structural candidate is currently published for this identity.

This result does not predict manufacturing conditions, formation, analytical findings or absence of risk. A process-specific assessment is required.

04India status for this compound

The result below applies only to this exact compound identity and CAS number.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESNo exact reviewed identity entry was found. Generic, class, analogue, salt and isomer provisions were not evaluated. Confirm the current official schedule before a regulatory decision.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 24729-96-2 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources