PR-104S1

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H16N4O9S
Molecular Weight	392.342
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(=O)(=O)OCCNC1=C(C=C(C=C1C(=O)NCCO)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=FLBSKIPLSNJURB-UHFFFAOYSA-N

InChI=1S/C12H16N4O9S/c1-26(23,24)25-5-3-13-11-9(12(18)14-2-4-17)6-8(15(19)20)7-10(11)16(21)22/h6-7,13,17H,2-5H2,1H3,(H,14,18)

HIDE SMILES / InChI

Molecular Formula	C12H16N4O9S
Molecular Weight	392.342
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:06:39 GMT 2025` Edited by `admin` on `Wed Apr 02 08:06:39 GMT 2025`
Record UNII	XW9HP2G9ED
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PR-104S1

Common Name

English

PR-104 METABOLITE M8

Preferred Name

English

PR104S

Common Name

English

N-(2-HYDROXYETHYL)-2-((2-((METHYLSULFONYL)OXY)ETHYL)AMINO)-3,5-DINITROBENZAMIDE

Systematic Name

English

PR104S1

Common Name

English

BENZAMIDE, N-(2-HYDROXYETHYL)-2-((2-((METHYLSULFONYL)OXY)ETHYL)AMINO)-3,5-DINITRO-

Systematic Name

English

Code System Code Type Description

PUBCHEM

44596205

Created by admin on Wed Apr 02 08:06:39 GMT 2025 , Edited by admin on Wed Apr 02 08:06:39 GMT 2025

PRIMARY

CAS

1178568-89-2

Created by admin on Wed Apr 02 08:06:39 GMT 2025 , Edited by admin on Wed Apr 02 08:06:39 GMT 2025

PRIMARY

FDA UNII

XW9HP2G9ED

Created by admin on Wed Apr 02 08:06:39 GMT 2025 , Edited by admin on Wed Apr 02 08:06:39 GMT 2025

PRIMARY

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