API and parent drug

Tetracycline

CAS 60-54-8 · C22H24N2O8 · 7 related records

01API identity and structure

2D structurePubChem CID 54675776
2D structure: Tetracycline, CAS 60-54-8
Structure of Tetracycline (CAS 60-54-8). LazyChem record. Source identity: PubChem CID 54675776. Confirm the identifiers before analytical use.Download structure image
API / medicine nameTetracycline
CAS RN60-54-8
PubChem CID54675776
Molecular formulaC22H24N2O8
Molecular weight444.4 g/mol
IUPAC name(4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
Defined stereocentres5
Unassigned stereocentres0
SMILESC[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O
InChINot listed
InChIKeyNWXMGUDVXFXRIG-WESIUVDSSA-N

02Stereochemistry

The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres52D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 32Before 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 60-54-8 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources