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Details

Stereochemistry ACHIRAL
Molecular Formula C28H26N7.CH3O3S
Molecular Weight 555.651
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ISOMETAMIDIUM MESYLATE

SMILES

CS([O-])(=O)=O.CC[N+]1=C(C2=CC=CC=C2)C3=C(C=CC(=C3)\N=N\NC4=CC=CC(=C4)C(N)=N)C5=C1C=C(N)C=C5

InChI

InChIKey=SNMWNEQGAIYVQF-UHFFFAOYSA-N
InChI=1S/C28H25N7.CH4O3S/c1-2-35-26-16-20(29)11-13-24(26)23-14-12-22(17-25(23)27(35)18-7-4-3-5-8-18)33-34-32-21-10-6-9-19(15-21)28(30)31;1-5(2,3)4/h3-17,29H,2H2,1H3,(H4,30,31,32,33);1H3,(H,2,3,4)

HIDE SMILES / InChI

Approval Year

Name Type Language
ISOMETAMIDIUM MESYLATE
Common Name English
PHENANTHRIDINIUM, 3-AMINO-8-(3-(3-(AMINOIMINOMETHYL)PHENYL)-2-TRIAZEN-1-YL)-5-ETHYL-6-PHENYL-, METHANESULFONATE (1:1)
Systematic Name English
ISOMETAMIDIUM MESILATE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID40957004
Created by admin on Fri Dec 15 15:22:30 UTC 2023 , Edited by admin on Fri Dec 15 15:22:30 UTC 2023
PRIMARY
PUBCHEM
215372
Created by admin on Fri Dec 15 15:22:30 UTC 2023 , Edited by admin on Fri Dec 15 15:22:30 UTC 2023
PRIMARY
FDA UNII
WN91WG5WNT
Created by admin on Fri Dec 15 15:22:30 UTC 2023 , Edited by admin on Fri Dec 15 15:22:30 UTC 2023
PRIMARY
CAS
35628-03-6
Created by admin on Fri Dec 15 15:22:30 UTC 2023 , Edited by admin on Fri Dec 15 15:22:30 UTC 2023
PRIMARY