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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H9BrN2.C7H8O3S
Molecular Weight 385.276
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-P-BROMOPHENYL ACETAMIDINE TOSYLATE

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.NC(=N)CC2=CC=C(Br)C=C2

InChI

InChIKey=KVBHJSYQSARJOY-UHFFFAOYSA-N
InChI=1S/C8H9BrN2.C7H8O3S/c9-7-3-1-6(2-4-7)5-8(10)11;1-6-2-4-7(5-3-6)11(8,9)10/h1-4H,5H2,(H3,10,11);2-5H,1H3,(H,8,9,10)

HIDE SMILES / InChI

Molecular Formula C8H9BrN2
Molecular Weight 213.074
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H8O3S
Molecular Weight 172.202
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 Fri Dec 15 14:58:20 GMT 2023
Edited
by admin
on Fri Dec 15 14:58:20 GMT 2023
Record UNII
SO7S8405GC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-P-BROMOPHENYL ACETAMIDINE TOSYLATE
Common Name English
BENZENEETHANIMIDAMIDE, 4-BROMO-, MONO(4-METHYLBENZENESULFONATE)
Systematic Name English
BENZENEETHANIMIDAMIDE, 4-BROMO-, 4-METHYLBENZENESULFONATE (1:1)
Systematic Name English
2-(4-BROMOPHENYL)ACETAMIDINE P-TOLUENESULFONATE
Common Name English
2-P-BROMOPHENYL ACETAMIDINE TOSILATE
Common Name English
Code System Code Type Description
CAS
59104-22-2
Created by admin on Fri Dec 15 14:58:20 GMT 2023 , Edited by admin on Fri Dec 15 14:58:20 GMT 2023
PRIMARY
FDA UNII
SO7S8405GC
Created by admin on Fri Dec 15 14:58:20 GMT 2023 , Edited by admin on Fri Dec 15 14:58:20 GMT 2023
PRIMARY
PUBCHEM
21499749
Created by admin on Fri Dec 15 14:58:20 GMT 2023 , Edited by admin on Fri Dec 15 14:58:20 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE