U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C14H21BrN4O7S
Molecular Weight 469.308
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PR-104M

SMILES

CS(=O)(=O)OCCN(CCBr)C1=C(C=C(N)C=C1C(=O)NCCO)[N+]([O-])=O

InChI

InChIKey=YQQYPWGYGLCPBO-UHFFFAOYSA-N
InChI=1S/C14H21BrN4O7S/c1-27(24,25)26-7-5-18(4-2-15)13-11(14(21)17-3-6-20)8-10(16)9-12(13)19(22)23/h8-9,20H,2-7,16H2,1H3,(H,17,21)

HIDE SMILES / InChI

Molecular Formula C14H21BrN4O7S
Molecular Weight 469.308
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 Sat Dec 16 16:34:42 GMT 2023
Edited
by admin
on Sat Dec 16 16:34:42 GMT 2023
Record UNII
A8W838TM4G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PR-104M
Common Name English
PR-104 METABOLITE M23
Common Name English
PR 104M
Common Name English
5-AMINO-2-((2-BROMOETHYL)(2-((METHYLSULFONYL)OXY)ETHYL)AMINO)-N-(2-HYDROXYETHYL)-3-NITROBENZAMIDE
Systematic Name English
BENZAMIDE, 5-AMINO-2-((2-BROMOETHYL)(2-((METHYLSULFONYL)OXY)ETHYL)AMINO)-N-(2-HYDROXYETHYL)-3-NITRO-
Systematic Name English
Code System Code Type Description
CAS
952144-70-6
Created by admin on Sat Dec 16 16:34:42 GMT 2023 , Edited by admin on Sat Dec 16 16:34:42 GMT 2023
PRIMARY
PUBCHEM
44596198
Created by admin on Sat Dec 16 16:34:42 GMT 2023 , Edited by admin on Sat Dec 16 16:34:42 GMT 2023
PRIMARY
FDA UNII
A8W838TM4G
Created by admin on Sat Dec 16 16:34:42 GMT 2023 , Edited by admin on Sat Dec 16 16:34:42 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PARENT -> METABOLITE