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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H24FN3O6
Molecular Weight 493.4837
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[(1S,9S)-9-Ethyl-5-fluoro-2,3,9,10,13,15-hexahydro-9-hydroxy-4-methyl-10,13-dioxo-1H,12H-benzo[de]pyrano[3?,4?:6,7]indolizino[1,2-b]quinolin-1-yl]-2-hydroxyacetamide

SMILES

CC[C@@]1(O)C(=O)OCC2=C1C=C3N(CC4=C3N=C5C=C(F)C(C)=C6CC[C@H](NC(=O)CO)C4=C56)C2=O

InChI

InChIKey=PLXLYXLUCNZSAA-QLXKLKPCSA-N
InChI=1S/C26H24FN3O6/c1-3-26(35)15-6-19-23-13(8-30(19)24(33)14(15)10-36-25(26)34)22-17(28-20(32)9-31)5-4-12-11(2)16(27)7-18(29-23)21(12)22/h6-7,17,31,35H,3-5,8-10H2,1-2H3,(H,28,32)/t17-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H24FN3O6
Molecular Weight 493.4837
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 23:31:24 GMT 2025
Edited
by admin
on Tue Apr 01 23:31:24 GMT 2025
Record UNII
OQM5SD32BQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-[(1S,9S)-9-Ethyl-5-fluoro-2,3,9,10,13,15-hexahydro-9-hydroxy-4-methyl-10,13-dioxo-1H,12H-benzo[de]pyrano[3?,4?:6,7]indolizino[1,2-b]quinolin-1-yl]-2-hydroxyacetamide
Systematic Name English
DXD
Preferred Name English
Acetamide, N-[(1S,9S)-9-ethyl-5-fluoro-2,3,9,10,13,15-hexahydro-9-hydroxy-4-methyl-10,13-dioxo-1H,12H-benzo[de]pyrano[3?,4?:6,7]indolizino[1,2-b]quinolin-1-yl]-2-hydroxy-
Systematic Name English
Code System Code Type Description
PUBCHEM
117888634
Created by admin on Tue Apr 01 23:31:24 GMT 2025 , Edited by admin on Tue Apr 01 23:31:24 GMT 2025
PRIMARY
CAS
1599440-33-1
Created by admin on Tue Apr 01 23:31:24 GMT 2025 , Edited by admin on Tue Apr 01 23:31:24 GMT 2025
PRIMARY
FDA UNII
OQM5SD32BQ
Created by admin on Tue Apr 01 23:31:24 GMT 2025 , Edited by admin on Tue Apr 01 23:31:24 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
PARENT -> METABOLITE ACTIVE
METABOLITE ACTIVE -> PARENT