API and parent drug

Artesunate

CAS 88495-63-0 · C19H28O8 · 0 related records

01API identity and structure

2D structurePubChem CID 6917864
2D structure: Artesunate, CAS 88495-63-0
Structure of Artesunate (CAS 88495-63-0). LazyChem record. Source identity: PubChem CID 6917864. Confirm the identifiers before analytical use.Download structure image
API / medicine nameArtesunate
CAS RN88495-63-0
PubChem CID6917864
Molecular formulaC19H28O8
Molecular weight384.4 g/mol
IUPAC name4-oxo-4-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acid
Defined stereocentres8
Unassigned stereocentres0
SMILESC[C@@H]1CC[C@H]2[C@H]([C@@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC(=O)CCC(=O)O)C
InChINot listed
InChIKeyFIHJKUPKCHIPAT-AHIGJZGOSA-N

02Stereochemistry

The published structure contains 8 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres82D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 256Before 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 88495-63-0 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Sources