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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H24F4N4O4
Molecular Weight 544.4975
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (4R,12AS)-N-((2,4-DIFLUOROPHENYL)METHYL)-7-(((2,4-DIFLUOROPHENYL)METHYL)AMINO)-4-METHYL-6,8-DIOXO-3,4,6,8,12,12A-HEXAHYDRO-2H-PYRIDO(1',2':4,5)PYRAZINO(2,1-B)(1,3)OXAZINE-9-CARBOXAMIDE

SMILES

C[C@@H]1CCO[C@H]2CN3C=C(C(=O)NCC4=C(F)C=C(F)C=C4)C(=O)C(NCC5=C(F)C=C(F)C=C5)=C3C(=O)N12

InChI

InChIKey=NQUXAEJPDHOWRF-PEBXRYMYSA-N
InChI=1S/C27H24F4N4O4/c1-14-6-7-39-22-13-34-12-19(26(37)33-11-16-3-5-18(29)9-21(16)31)25(36)23(24(34)27(38)35(14)22)32-10-15-2-4-17(28)8-20(15)30/h2-5,8-9,12,14,22,32H,6-7,10-11,13H2,1H3,(H,33,37)/t14-,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H24F4N4O4
Molecular Weight 544.4975
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 Wed Apr 02 09:20:26 GMT 2025
Edited
by admin
on Wed Apr 02 09:20:26 GMT 2025
Record UNII
6CUV9C2GW6
Record Status Validated (UNII)
Record Version
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Name Type Language
(4R,12AS)-N-((2,4-DIFLUOROPHENYL)METHYL)-7-(((2,4-DIFLUOROPHENYL)METHYL)AMINO)-4-METHYL-6,8-DIOXO-3,4,6,8,12,12A-HEXAHYDRO-2H-PYRIDO(1',2':4,5)PYRAZINO(2,1-B)(1,3)OXAZINE-9-CARBOXAMIDE
Systematic Name English
(4R,12AS)-N-(2,4-DIFLUOROBENZYL)-7-((2,4-DIFLUOROBENZYL)AMINO)-4-METHYL-6,8-DIOXO-3,4,6,8,12,12A-HEXAHYDRO-2H-PYRIDO(1',2':4,5)PYRAZINO(2,1-B)(1,3)OXAZINE-9-CARBOXAMIDE
Preferred Name English
Code System Code Type Description
FDA UNII
6CUV9C2GW6
Created by admin on Wed Apr 02 09:20:26 GMT 2025 , Edited by admin on Wed Apr 02 09:20:26 GMT 2025
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