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Details

Stereochemistry ACHIRAL
Molecular Formula C28H26N7
Molecular Weight 460.5529
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 1

SHOW SMILES / InChI
Structure of ISOMETAMIDIUM

SMILES

CC[N+]1=C(C2=CC=CC=C2)C3=C(C=CC(N\N=N\C4=CC(=CC=C4)C(N)=N)=C3)C5=CC=C(N)C=C15

InChI

InChIKey=UGKOYGZYLRKTJH-UHFFFAOYSA-O
InChI=1S/C28H25N7/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/h3-17,29H,2H2,1H3,(H4,30,31,32,33)/p+1

HIDE SMILES / InChI

Approval Year

Name Type Language
ISOMETAMIDIUM
Common Name English
ISOMETAMIDIUM CATION
Common Name English
ISOMETAMIDIUM ION
Common Name English
PHENANTHRIDINIUM, 3-AMINO-8-(3-(3-(AMINOIMINOMETHYL)PHENYL)-1-TRIAZENYL)-5-ETHYL-6-PHENYL-
Systematic Name English
8-(3-(M-AMIDINOPHENYL)-2-TRIAZENO)-3-AMINO-5-ETHYL-6-PHENYLPHENANTHRIDINIUM
Systematic Name English
Classification Tree Code System Code
WHO-VATC QP51AX19
Created by admin on Fri Dec 15 16:00:11 UTC 2023 , Edited by admin on Fri Dec 15 16:00:11 UTC 2023
Code System Code Type Description
SMS_ID
300000044835
Created by admin on Fri Dec 15 16:00:11 UTC 2023 , Edited by admin on Fri Dec 15 16:00:11 UTC 2023
PRIMARY
NCI_THESAURUS
C83842
Created by admin on Fri Dec 15 16:00:11 UTC 2023 , Edited by admin on Fri Dec 15 16:00:11 UTC 2023
PRIMARY
CAS
20438-03-3
Created by admin on Fri Dec 15 16:00:11 UTC 2023 , Edited by admin on Fri Dec 15 16:00:11 UTC 2023
PRIMARY
EPA CompTox
DTXSID30174384
Created by admin on Fri Dec 15 16:00:11 UTC 2023 , Edited by admin on Fri Dec 15 16:00:11 UTC 2023
PRIMARY
FDA UNII
S9HA0WUW3H
Created by admin on Fri Dec 15 16:00:11 UTC 2023 , Edited by admin on Fri Dec 15 16:00:11 UTC 2023
PRIMARY
WIKIPEDIA
Isometamidium
Created by admin on Fri Dec 15 16:00:11 UTC 2023 , Edited by admin on Fri Dec 15 16:00:11 UTC 2023
PRIMARY
PUBCHEM
72452
Created by admin on Fri Dec 15 16:00:11 UTC 2023 , Edited by admin on Fri Dec 15 16:00:11 UTC 2023
PRIMARY