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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H16O3
Molecular Weight 232.275
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2H-INDENO(5,4-B)FURAN-8-ACETIC ACID, 1,6,7,8-TETRAHYDRO-, METHYL ESTER, (8S)-

SMILES

COC(=O)C[C@@H]1CCC2=CC=C3OCCC3=C12

InChI

InChIKey=VYYNJUOOCHSSIQ-JTQLQIEISA-N
InChI=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

HIDE SMILES / InChI

Molecular Formula C14H16O3
Molecular Weight 232.275
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 13:37:43 GMT 2025
Edited
by admin
on Wed Apr 02 13:37:43 GMT 2025
Record UNII
JML966MGQ3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RAMELTEON IMPURITY 9
Preferred Name English
2H-INDENO(5,4-B)FURAN-8-ACETIC ACID, 1,6,7,8-TETRAHYDRO-, METHYL ESTER, (8S)-
Common Name English
Code System Code Type Description
FDA UNII
JML966MGQ3
Created by admin on Wed Apr 02 13:37:43 GMT 2025 , Edited by admin on Wed Apr 02 13:37:43 GMT 2025
PRIMARY
PUBCHEM
155884414
Created by admin on Wed Apr 02 13:37:43 GMT 2025 , Edited by admin on Wed Apr 02 13:37:43 GMT 2025
PRIMARY
CAS
1356395-13-5
Created by admin on Wed Apr 02 13:37:43 GMT 2025 , Edited by admin on Wed Apr 02 13:37:43 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY