Chemical identity

(S)-2-(1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl)acetic acid

CAS 1092507-02-2 · C13H14O3

01Identity

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

Lazychem IDLC-26686
PubChem CID25141471
Name(S)-2-(1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl)acetic acid
CAS RN1092507-02-2
Molecular formulaC13H14O3
Molecular weight218.25 g/mol
IUPAC name(S)-2-(1,6,7,8-Tetrahydro-2H-indeno[5,4-b]furan-8-yl)acetic acid
InChIKeySTJFPPKIYLSEKU-VIFPVBQESA-N

02Structure identifiers

2D structurePubChem CID 25141471
2D structure: (S)-2-(1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl)acetic acid, CAS 1092507-02-2
Structure of (S)-2-(1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl)acetic acid (CAS 1092507-02-2). LazyChem record. Source identity: PubChem CID 25141471. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC13H14O3
InChIKeySTJFPPKIYLSEKU-VIFPVBQESA-N
Ring count3
Defined stereocentres1
Unassigned stereocentres0
SMILESC1CC2=C([C@@H]1CC(=O)O)C3=C(C=C2)OCC3
InChIInChI=1S/C13H14O3/c14-12(15)7-9-2-1-8-3-4-11-10(13(8)9)5-6-16-11/h3-4,9H,1-2,5-7H2,(H,14,15)/t9-/m0/s1

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge-and-dash depiction is shown above.

Defined stereocentres12D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

2 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 1092507-02-2 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 1092507-02-2 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Ramelteon

View API and impurity family

Other names

  • Ramelteon Impurity 20
  • (8S)-1,6,7,8-Tetrahydro-2H-indeno(5,4-b)furan-8-acetic acid
  • 2H-Indeno(5,4-b)furan-8-acetic acid, 1,6,7,8-tetrahydro-, (8S)-
  • (S)-2-(2,6,7,8-tetrahydro-1H-indeno[5,4-b]furan-8-yl)acetic acid
  • DB-189946

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