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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H18F3N3O5
Molecular Weight	449.3799
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S,5R,13aS)-2,3,4,5,7,9,13,13a-Octahydro-8-hydroxy-7,9-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,5-methanopyrido[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-GDLVEWKHSA-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+/m1/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 15:09:58 GMT 2025` Edited by `admin` on `Wed Apr 02 15:09:58 GMT 2025`
Record UNII	45CN2ZAS2D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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]-, (2S,5R,13aS)-

Preferred Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

1616340-12-5

Created by admin on Wed Apr 02 15:09:58 GMT 2025 , Edited by admin on Wed Apr 02 15:09:58 GMT 2025

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PUBCHEM

90328411

Created by admin on Wed Apr 02 15:09:58 GMT 2025 , Edited by admin on Wed Apr 02 15:09:58 GMT 2025

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FDA UNII

45CN2ZAS2D

Created by admin on Wed Apr 02 15:09:58 GMT 2025 , Edited by admin on Wed Apr 02 15:09:58 GMT 2025

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