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Details

Stereochemistry EPIMERIC
Molecular Formula C22H27NO10
Molecular Weight 465.4505
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (S)-RAMELTEON M IV GLUCURONIDE CONJUGATE

SMILES

[H][C@@]4(OC(C)C(=O)NCC[C@@H]1CC(=O)C2=CC=C3OCCC3=C12)O[C@@H]([C@@H](O)[C@@H](O)[C@@H]4O)C(O)=O

InChI

InChIKey=OBRABNBNQPXOSR-ONPQGWIBSA-N
InChI=1S/C22H27NO10/c1-9(32-22-18(27)16(25)17(26)19(33-22)21(29)30)20(28)23-6-4-10-8-13(24)11-2-3-14-12(15(10)11)5-7-31-14/h2-3,9-10,16-19,22,25-27H,4-8H2,1H3,(H,23,28)(H,29,30)/t9?,10-,16-,17+,18+,19+,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H27NO10
Molecular Weight 465.4505
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 6 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:46:35 UTC 2023
Edited
by admin
on Sat Dec 16 13:46:35 UTC 2023
Record UNII
R2DS4VMX4K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(S)-RAMELTEON M IV GLUCURONIDE CONJUGATE
Common Name English
(2S,3S,4R,5S,6R)-3,4,5-TRIHYDROXY-6-(1-METHYL-2-OXO-2-(2-((8R)-6-OXO-1,2,7,8-TETRAHYDROCYCLOPENTA(E)BENZOFURAN-8-YL)ETHYLAMINO)ETHOXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
R2DS4VMX4K
Created by admin on Sat Dec 16 13:46:35 UTC 2023 , Edited by admin on Sat Dec 16 13:46:35 UTC 2023
PRIMARY
PUBCHEM
165411932
Created by admin on Sat Dec 16 13:46:35 UTC 2023 , Edited by admin on Sat Dec 16 13:46:35 UTC 2023
PRIMARY
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