PR-104H

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H21BrN4O8S
Molecular Weight	485.308
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(=O)(=O)OCCN(CCBr)C1=C(C=C(NO)C=C1C(=O)NCCO)[N+]([O-])=O

InChI

InChIKey=GGQLBTNLBIONTJ-UHFFFAOYSA-N

InChI=1S/C14H21BrN4O8S/c1-28(25,26)27-7-5-18(4-2-15)13-11(14(21)16-3-6-20)8-10(17-22)9-12(13)19(23)24/h8-9,17,20,22H,2-7H2,1H3,(H,16,21)

HIDE SMILES / InChI

Molecular Formula	C14H22BrN4O8S
Molecular Weight	486.315
Charge	1
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 08:01:56 GMT 2025` Edited by `admin` on `Wed Apr 02 08:01:56 GMT 2025`
Record UNII	2VXA662M26
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PR 104H

Preferred Name

English

PR-104H

Common Name

English

PR-104 METABOLITE M22

Common Name

English

2-((2-BROMOETHYL)(2-((METHYLSULFONYL)OXY)ETHYL)AMINO)-5-(HYDROXYAMINO)-N-(2-HYDROXYETHYL)-3-NITROBENZAMIDE

Systematic Name

English

BENZAMIDE, 2-((2-BROMOETHYL)(2-((METHYLSULFONYL)OXY)ETHYL)AMINO)-5-(HYDROXYAMINO)-N-(2-HYDROXYETHYL)-3-NITRO-

Systematic Name

English

Code System Code Type Description

PUBCHEM

11954399

Created by admin on Wed Apr 02 08:01:56 GMT 2025 , Edited by admin on Wed Apr 02 08:01:56 GMT 2025

PRIMARY

FDA UNII

2VXA662M26

Created by admin on Wed Apr 02 08:01:56 GMT 2025 , Edited by admin on Wed Apr 02 08:01:56 GMT 2025

PRIMARY

CAS

952144-65-9

Created by admin on Wed Apr 02 08:01:56 GMT 2025 , Edited by admin on Wed Apr 02 08:01:56 GMT 2025

PRIMARY

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