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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 of PR-104H

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

Approval Year

Unknown
139594
Name Type Language
PR-104H
Common Name English
PR-104 METABOLITE M22
Common Name English
PR 104H
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 Sat Dec 16 16:33:46 GMT 2023 , Edited by admin on Sat Dec 16 16:33:46 GMT 2023
PRIMARY
FDA UNII
2VXA662M26
Created by admin on Sat Dec 16 16:33:46 GMT 2023 , Edited by admin on Sat Dec 16 16:33:46 GMT 2023
PRIMARY
CAS
952144-65-9
Created by admin on Sat Dec 16 16:33:46 GMT 2023 , Edited by admin on Sat Dec 16 16:33:46 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of PR-104A
PARENT (METABOLITE)
Structure of PR-104
SUBSTANCE RECORD
Structure of PR-104H
NIH
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