U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H29NO9
Molecular Weight 439.4563
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(2-(2-HYDROXYETHYL)-3-((1R,2R)-2-((PROPANOYLAMINO)METHYL)CYCLOPROPYL)PHENOXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID

SMILES

CCC(=O)NC[C@@H]1C[C@H]1C2=C(CCO)C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=CC=C2

InChI

InChIKey=QORKKPJVEPWLKY-ZAYOFSQCSA-N
InChI=1S/C21H29NO9/c1-2-15(24)22-9-10-8-13(10)11-4-3-5-14(12(11)6-7-23)30-21-18(27)16(25)17(26)19(31-21)20(28)29/h3-5,10,13,16-19,21,23,25-27H,2,6-9H2,1H3,(H,22,24)(H,28,29)/t10-,13+,16-,17-,18+,19-,21+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(2-(2-HYDROXYETHYL)-3-((1R,2R)-2-((PROPANOYLAMINO)METHYL)CYCLOPROPYL)PHENOXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
TASIMELTEON METABOLITE M8
Common Name English
Code System Code Type Description
PUBCHEM
156596918
Created by admin on Sat Dec 16 14:41:46 UTC 2023 , Edited by admin on Sat Dec 16 14:41:46 UTC 2023
PRIMARY
FDA UNII
4E33W6K5P4
Created by admin on Sat Dec 16 14:41:46 UTC 2023 , Edited by admin on Sat Dec 16 14:41:46 UTC 2023
PRIMARY