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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H33FN2O10
Molecular Weight 576.5685
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S,3S,4S,5R,6S)-6-(4-(3-(4-(6-FLUORO-1,2-BENZOXAZOL-3-YL)-1-PIPERIDYL)PROPOXY)-3-METHOXY-PHENOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

SMILES

COc1cc(ccc1OCCCN2CCC(CC2)c3c4ccc(cc4on3)F)O[C@@]5([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O5)O)O)O

InChI

InChIKey=GRWROUFDOQOYCG-NLMMERCGSA-N
InChI=1S/C28H33FN2O10/c1-37-21-14-17(39-28-25(34)23(32)24(33)26(40-28)27(35)36)4-6-19(21)38-12-2-9-31-10-7-15(8-11-31)22-18-5-3-16(29)13-20(18)41-30-22/h3-6,13-15,23-26,28,32-34H,2,7-12H2,1H3,(H,35,36)/t23-,24-,25+,26-,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H33FN2O10
Molecular Weight 576.5685
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 12:29:59 UTC 2021
Edited
by admin
on Sat Jun 26 12:29:59 UTC 2021
Record UNII
1U818GW17W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S,3S,4S,5R,6S)-6-(4-(3-(4-(6-FLUORO-1,2-BENZOXAZOL-3-YL)-1-PIPERIDYL)PROPOXY)-3-METHOXY-PHENOXY)-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID
Systematic Name English
ILOPERIDONE METABOLITE P24.5
Common Name English
Code System Code Type Description
FDA UNII
1U818GW17W
Created by admin on Sat Jun 26 12:29:59 UTC 2021 , Edited by admin on Sat Jun 26 12:29:59 UTC 2021
PRIMARY
PUBCHEM
139593470
Created by admin on Sat Jun 26 12:29:59 UTC 2021 , Edited by admin on Sat Jun 26 12:29:59 UTC 2021
PRIMARY
Related Record Type Details
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