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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H29NO10
Molecular Weight 467.4664
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

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

SMILES

[H][C@@]3(OC1=CC=C2CC[C@@H](CCNC(=O)CC)C2=C1CC(O)=O)O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O

InChI

InChIKey=LUPBZJDGJYUMCD-OZIAEEMKSA-N
InChI=1S/C22H29NO10/c1-2-14(24)23-8-7-11-4-3-10-5-6-13(12(16(10)11)9-15(25)26)32-22-19(29)17(27)18(28)20(33-22)21(30)31/h5-6,11,17-20,22,27-29H,2-4,7-9H2,1H3,(H,23,24)(H,25,26)(H,30,31)/t11-,17-,18-,19+,20-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H29NO10
Molecular Weight 467.4664
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
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
M5W3B96WDP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(S)-RAMELTEON GLUCURONIDE CONJUGATE
Common Name English
(2S,3S,4S,5R,6S)-6-((3S)-4-(CARBOXYMETHYL)-3-(2-(PROPANOYLAMINO)ETHYL)INDAN-5-YL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
156596597
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
FDA UNII
M5W3B96WDP
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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