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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H33FN2O10
Molecular Weight 576.5674
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ILOPERIDONE METABOLITE P24.5

SMILES

COC1=CC(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=CC=C1OCCCN3CCC(CC3)C4=NOC5=C4C=CC(F)=C5

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 576.5674
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Oct 21 20:17:52 UTC 2019
Edited
by admin
on Mon Oct 21 20:17:52 UTC 2019
Record UNII
1U818GW17W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ILOPERIDONE METABOLITE P24.5
Common Name English
(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
Related Record Type Details
PARENT -> METABOLITE