Chemical identity

Orlistat open ring epimer / Orlistat Open Ring (2S,3R,5S)-Isomer

CAS 130793-28-1 · C29H55NO6

01Identity

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

Lazychem IDLC-24177
PubChem CID14607535
NameOrlistat open ring epimer / Orlistat Open Ring (2S,3R,5S)-Isomer
CAS RN130793-28-1
Molecular formulaC29H55NO6
Molecular weight513.75 g/mol
IUPAC name(2S,3R,5S)-5-[(N-Formyl-L-leucyl)oxy]-2-hexyl-3-hydroxyhexadecanoic acid
InChIKeyFKUNIADJSAJLGB-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 14607535
2D structure: Orlistat open ring epimer / Orlistat Open Ring (2S,3R,5S)-Isomer, CAS 130793-28-1
Structure of Orlistat open ring epimer / Orlistat Open Ring (2S,3R,5S)-Isomer (CAS 130793-28-1). LazyChem record. Source identity: PubChem CID 14607535. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC29H55NO6
InChIKeyFKUNIADJSAJLGB-UHFFFAOYSA-N
Ring count0
Defined stereocentres0
Unassigned stereocentres4
SMILESCCCCCCCCCCCC(CC(C(CCCCCC)C(=O)O)O)OC(=O)C(CC(C)C)NC=O
InChIInChI=1S/C29H55NO6/c1-5-7-9-11-12-13-14-15-16-18-24(36-29(35)26(30-22-31)20-23(3)4)21-27(32)25(28(33)34)19-17-10-8-6-2/h22-27,32H,5-21H2,1-4H3,(H,30,31)(H,33,34)

03Stereochemistry

The published structure contains 0 defined and 4 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres02D structure
Unassigned stereocentres42D structure
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 16Before symmetry reduction

Published same-connectivity configurations

4 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.

04India 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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 130793-28-1 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 130793-28-1 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Orlistat

View API and impurity family

Other names

  • Orlistat Open Ring (2S,3R,5S)-Isomer
  • Orlistat open ring epimer

Related records from the same parent family

06Documented 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.

07Sources