(2RS,5SR,13aSR)-8-hydroxy-7,9-dioxo-N-(2,4,6-trifluoro benzyl)- 2,3,4,5,7,9,13,13aoctahydro-2,5-methano pyrido[1',2':4,5]pyrazino [2,1-b][1,3]oxazepine-10-carboxamide

Details

Stereochemistry	RACEMIC
Molecular Formula	C21H18F3N3O5
Molecular Weight	449.3799
Optical Activity	( + / - )
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2RS,5SR,13aSR)-8-hydroxy-7,9-dioxo-N-(2,4,6-trifluoro benzyl)- 2,3,4,5,7,9,13,13aoctahydro-2,5-methano pyrido[1',2':4,5]pyrazino [2,1-b][1,3]oxazepine-10-carboxamide

Structure Search

SMILES

OC1=C2N(C[C@@H]3O[C@@H]4CC[C@@H](C4)N3C2=O)C=C(C(=O)NCC5=C(F)C=C(F)C=C5F)C1=O

InChI

InChIKey=SOLUWJRYJLAZCX-USBNGQNGSA-N

InChI=1S/C21H18F3N3O5/c22-9-3-14(23)12(15(24)4-9)6-25-20(30)13-7-26-8-16-27(10-1-2-11(5-10)32-16)21(31)17(26)19(29)18(13)28/h3-4,7,10-11,16,29H,1-2,5-6,8H2,(H,25,30)/t10-,11+,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H18F3N3O5
Molecular Weight	449.3799
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:23:54 GMT 2025` Edited by `admin` on `Wed Apr 02 21:23:54 GMT 2025`
Record UNII	PQH4B3ZQ47
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2RS,5SR,13aSR)-8-hydroxy-7,9-dioxo-N-(2,4,6-trifluoro benzyl)- 2,3,4,5,7,9,13,13aoctahydro-2,5-methano pyrido[1',2':4,5]pyrazino [2,1-b][1,3]oxazepine-10-carboxamide

Systematic Name

English

2,5-Methanopyrido[1?,2?:4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxamide, 2,3,4,5,7,9,13,13a-octahydro-8-hydroxy-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-, (2R,5S,13aS)-rel-

Preferred Name

English

Code System Code Type Description

FDA UNII

PQH4B3ZQ47

Created by admin on Wed Apr 02 21:23:54 GMT 2025 , Edited by admin on Wed Apr 02 21:23:54 GMT 2025

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CAS

2468639-05-4

Created by admin on Wed Apr 02 21:23:54 GMT 2025 , Edited by admin on Wed Apr 02 21:23:54 GMT 2025

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