(S)-RAMELTEON M II GLUCURONIDE CONJUGATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H29NO9
Molecular Weight	451.467
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (S)-RAMELTEON M II GLUCURONIDE CONJUGATE

Structure Search

SMILES

[H][C@@]4(O[C@@H](C)C(=O)NCC[C@@H]1CCC2=CC=C3OCCC3=C12)O[C@@H]([C@@H](O)[C@@H](O)[C@@H]4O)C(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	451.467
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 Dec 16 13:46:38 UTC 2023` Edited by `admin` on `Sat Dec 16 13:46:38 UTC 2023`
Record UNII	7JTE6E6XVF
Record Status	`Validated (UNII)`
Record Version

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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 Dec 16 13:46:38 UTC 2023 , Edited by admin on Sat Dec 16 13:46:38 UTC 2023

PRIMARY

PUBCHEM

FDA UNII

7JTE6E6XVF

Created by admin on Sat Dec 16 13:46:38 UTC 2023 , Edited by admin on Sat Dec 16 13:46:38 UTC 2023

PRIMARY

Related Record Type Details


					901AS54I69

RAMELTEON

PARENT -> METABOLITE

Comments:

From (S)-Ramelteon MII, a major active metabolite.