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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H38N2O11
Molecular Weight 614.6402
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of YJA-654

SMILES

CCO[C@H]1CCN(CC2=C(OC)C=C(CO)C3=C2C=CN3)[C@@H](C1)C4=CC=C(C=C4)C(=O)O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O

InChI

InChIKey=QPAMZEQRSQBQJB-KIBNXESQSA-N
InChI=1S/C31H38N2O11/c1-3-42-19-9-11-33(14-21-20-8-10-32-24(20)18(15-34)12-23(21)41-2)22(13-19)16-4-6-17(7-5-16)30(40)44-31-27(37)25(35)26(36)28(43-31)29(38)39/h4-8,10,12,19,22,25-28,31-32,34-37H,3,9,11,13-15H2,1-2H3,(H,38,39)/t19-,22-,25-,26-,27+,28-,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H38N2O11
Molecular Weight 614.6402
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 Wed Apr 02 20:51:27 GMT 2025
Edited
by admin
on Wed Apr 02 20:51:27 GMT 2025
Record UNII
24AR88YK9E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
YJA-654
Code English
YJA654
Preferred Name English
Iptacopan metabolite M10
Common Name English
(2S,3S,4S,5R,6S)-6-{p-[(2S,4S)-4-Ethoxy-1-{[7-(hydroxymethyl)-5-methoxy-4-indolyl]methyl}-2-piperidyl]benzoyloxy}-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
Systematic Name English
Code System Code Type Description
FDA UNII
24AR88YK9E
Created by admin on Wed Apr 02 20:51:27 GMT 2025 , Edited by admin on Wed Apr 02 20:51:27 GMT 2025
PRIMARY
Related Record Type Details
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