TECOVIRIMAT MONOHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C19H15F3N2O3.H2O
Molecular Weight	394.3445
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.[H][C@@]12C[C@]1([H])[C@@H]3C=C[C@H]2[C@@]4([H])C(=O)N(NC(=O)C5=CC=C(C=C5)C(F)(F)F)C(=O)[C@@]34[H]

InChI

InChIKey=QRHXYGPOQKLBJP-NPIFKJBVSA-N

InChI=1S/C19H15F3N2O3.H2O/c20-19(21,22)9-3-1-8(2-4-9)16(25)23-24-17(26)14-10-5-6-11(13-7-12(10)13)15(14)18(24)27;/h1-6,10-15H,7H2,(H,23,25);1H2/t10-,11+,12+,13-,14-,15+;

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C19H15F3N2O3
Molecular Weight	376.3292
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:38:56 UTC 2023` Edited by `admin` on `Sat Dec 16 08:38:56 UTC 2023`
Record UNII	SB96YO2BR8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TECOVIRIMAT MONOHYDRATE

Common Name

English

BENZAMIDE, N-((3AR,4R,4AR,5AS,6S,6AS)-3,3A,4,4A,5,5A,6,6A-OCTAHYDRO-1,3-DIOXO-4,6-ETHENOCYCLOPROP(F)ISOINDOL-2(1H)-YL)-4-(TRIFLUOROMETHYL)-, HYDRATE (1:1), REL-

Systematic Name

English

TPOXX

Brand Name

English

ST-246 MONOHYDRATE

Code

English

Tecovirimat monohydrate [WHO-DD]

Common Name

English

TECOVIRIMAT MONOHYDRATE [MI]

Common Name

English

Code System Code Type Description

FDA UNII

SB96YO2BR8