Chemical identity

JML966MGQ3

CAS 1356395-13-5 · C14H16O3

01Identity

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

Lazychem IDLC-26685
PubChem CID155884414
NameJML966MGQ3
CAS RN1356395-13-5
Molecular formulaC14H16O3
Molecular weight232.28 g/mol
IUPAC nameMethyl (S)-2-(1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl)acetate
InChIKeyVYYNJUOOCHSSIQ-JTQLQIEISA-N

02Structure identifiers

2D structurePubChem CID 155884414
2D structure: JML966MGQ3, CAS 1356395-13-5
Structure of JML966MGQ3 (CAS 1356395-13-5). LazyChem record. Source identity: PubChem CID 155884414. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC14H16O3
InChIKeyVYYNJUOOCHSSIQ-JTQLQIEISA-N
Ring count3
Defined stereocentres1
Unassigned stereocentres0
SMILESCOC(=O)C[C@@H]1CCC2=C1C3=C(C=C2)OCC3
InChIInChI=1S/C14H16O3/c1-16-13(15)8-10-3-2-9-4-5-12-11(14(9)10)6-7-17-12/h4-5,10H,2-3,6-8H2,1H3/t10-/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

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.

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 1356395-13-5 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 1356395-13-5 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 9
  • UNII-JML966MGQ3
  • methyl 2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetate
  • 2H-Indeno(5,4-b)furan-8-acetic acid, 1,6,7,8-tetrahydro-, methyl ester, (8S)-
  • Ramelteon Impurity 34
  • Ramelteon Impurity 68
  • methyl (S)-2-(1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl)acetate

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