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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 of PR-104A

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

Approval Year

Name Type Language
PR-104A
Common Name English
PR 104A
Common Name English
3,5-DINITROBENZAMIDE NITROGEN MUSTARD
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 Sat Dec 16 16:53:54 GMT 2023 , Edited by admin on Sat Dec 16 16:53:54 GMT 2023
PRIMARY
FDA UNII
397986RF9L
Created by admin on Sat Dec 16 16:53:54 GMT 2023 , Edited by admin on Sat Dec 16 16:53:54 GMT 2023
PRIMARY
CAS
680199-06-8
Created by admin on Sat Dec 16 16:53:54 GMT 2023 , Edited by admin on Sat Dec 16 16:53:54 GMT 2023
PRIMARY