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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H29NO9
Molecular Weight 451.4678
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

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

SMILES

C[C@@]([H])(C(=NCC[C@]1([H])CCc2ccc3c(CCO3)c21)O)O[C@@]4([H])[C@]([H])([C@@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O4)O)O)O

InChI

InChIKey=ABTFMZUUPBKBFT-HIZNEHJKSA-N
InChI=1S/C22H29NO9/c1-10(31-22-18(26)16(24)17(25)19(32-22)21(28)29)20(27)23-8-6-12-3-2-11-4-5-14-13(15(11)12)7-9-30-14/h4-5,10,12,16-19,22,24-26H,2-3,6-9H2,1H3,(H,23,27)(H,28,29)/t10-,12-,16+,17-,18-,19-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H29NO9
Molecular Weight 451.4678
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 16:39:27 UTC 2021
Edited
by admin
on Sat Jun 26 16:39:27 UTC 2021
Record UNII
7JTE6E6XVF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(S)-RAMELTEON M II GLUCURONIDE CONJUGATE
Common Name English
(2S,3S,4R,5S,6R)-3,4,5-TRIHYDROXY-6-(1-METHYL-2-OXO-2-(2-((8S)-2,6,7,8-TETRAHYDRO-1H-CYCLOPENTA(E)BENZOFURAN-8-YL)ETHYLAMINO)ETHOXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
155491306
Created by admin on Sat Jun 26 16:39:27 UTC 2021 , Edited by admin on Sat Jun 26 16:39:27 UTC 2021
PRIMARY PUBCHEM
FDA UNII
7JTE6E6XVF
Created by admin on Sat Jun 26 16:39:27 UTC 2021 , Edited by admin on Sat Jun 26 16:39:27 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
From (S)-Ramelteon MII, a major active metabolite.