PR-104A

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H19BrN4O9S
Molecular Weight	499.291
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(C=C1C(=O)NCCO)[N+]([O-])=O)[N+]([O-])=O

InChI

InChIKey=AZICEEZSDKZDHX-UHFFFAOYSA-N

InChI=1S/C14H19BrN4O9S/c1-29(26,27)28-7-5-17(4-2-15)13-11(14(21)16-3-6-20)8-10(18(22)23)9-12(13)19(24)25/h8-9,20H,2-7H2,1H3,(H,16,21)

HIDE SMILES / InChI

Molecular Formula	C14H19BrN4O9S
Molecular Weight	499.291
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 08:30:00 GMT 2025` Edited by `admin` on `Wed Apr 02 08:30:00 GMT 2025`
Record UNII	397986RF9L
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3,5-DINITROBENZAMIDE NITROGEN MUSTARD

Preferred Name

English

PR-104A

Common Name

English

PR 104A

Common Name

English

2-(N-(2-BROMOETHYL)-2-(((2-HYDROXYETHYL)AMINO)CARBONYL)-4,6-DINITROANILINO)ETHYL METHANESULFONATE

Systematic Name

English

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

Systematic Name

English

SN 27858

Common Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

9848786

Created by admin on Wed Apr 02 08:30:00 GMT 2025 , Edited by admin on Wed Apr 02 08:30:00 GMT 2025

PRIMARY

FDA UNII

397986RF9L

Created by admin on Wed Apr 02 08:30:00 GMT 2025 , Edited by admin on Wed Apr 02 08:30:00 GMT 2025

PRIMARY

CAS

680199-06-8

Created by admin on Wed Apr 02 08:30:00 GMT 2025 , Edited by admin on Wed Apr 02 08:30:00 GMT 2025

PRIMARY

Related Record Type Details


					U0ORD4WY8S

PR-104G

METABOLITE -> PARENT

Interaction Type:

MAJOR

Qualification:

PLASMA; URINE


					V16D2ZT7DT

PR-104

PARENT -> METABOLITE

Qualification:

URINE

Amount:


					V16D2ZT7DT

PR-104

PRODRUG -> METABOLITE ACTIVE

Qualification:

URINE

Amount:


					XW9HP2G9ED

PR-104S1

METABOLITE -> PARENT

Qualification:

PLASMA; URINE


					A8W838TM4G

PR-104M

METABOLITE -> PARENT


					V16D2ZT7DT

PR-104

PRODRUG -> METABOLITE ACTIVE

Interaction Type:

MAJOR

Qualification:

PLASMA


					VP4P058R6N

(2S,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(2-((2-(2-METHYLSULFONYLOXYETHYLAMINO)-3,5-DINITRO-BENZOYL)AMINO)ETHOXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID

METABOLITE -> PARENT

Qualification:

PLASMA; URINE


					2VXA662M26

PR-104H

METABOLITE -> PARENT

Qualification:

PLASMA

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC				INTRAVENOUS ADMINISTRATION