API and parent drug

Dl-alpha-tocopherol acetate

CAS 52225-20-4 · C31H52O3 · 1 related records

01API identity and structure

2D structurePubChem CID 2117
2D structure: Dl-alpha-tocopherol acetate, CAS 52225-20-4
Structure of Dl-alpha-tocopherol acetate (CAS 52225-20-4). LazyChem record. Source identity: PubChem CID 2117. Confirm the identifiers before analytical use.Download structure image
API / medicine nameDl-alpha-tocopherol acetate
CAS RN52225-20-4
PubChem CID2117
Molecular formulaC31H52O3
Molecular weight472.7 g/mol
IUPAC name[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] acetate
Defined stereocentres0
Unassigned stereocentres3
SMILESCC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)C)C
InChINot listed
InChIKeyZAKOWWREFLAJOT-UHFFFAOYSA-N

02Stereochemistry

The published structure contains 0 defined and 3 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres02D structure
Unassigned stereocentres32D structure
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 8Before 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.

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 52225-20-4 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources