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Details

Stereochemistry ACHIRAL
Molecular Formula C18H14N2O6.2H4N
Molecular Weight 390.3905
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIAMMONIUM 2,2'-(1,2-ETHANEDIYLBIS(IMINOCARBONYL))BISBENZOATE

SMILES

[NH4+].[NH4+].[O-]C(=O)C1=CC=CC=C1C(=O)NCCNC(=O)C2=CC=CC=C2C([O-])=O

InChI

InChIKey=FGAQRBQPHXADBJ-UHFFFAOYSA-N
InChI=1S/C18H16N2O6.2H3N/c21-15(11-5-1-3-7-13(11)17(23)24)19-9-10-20-16(22)12-6-2-4-8-14(12)18(25)26;;/h1-8H,9-10H2,(H,19,21)(H,20,22)(H,23,24)(H,25,26);2*1H3

HIDE SMILES / InChI

Molecular Formula H3N
Molecular Weight 17.0305
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C18H16N2O6
Molecular Weight 356.3294
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 12:41:54 GMT 2023
Edited
by admin
on Sat Dec 16 12:41:54 GMT 2023
Record UNII
B4FN6SMA8J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIAMMONIUM 2,2'-(1,2-ETHANEDIYLBIS(IMINOCARBONYL))BISBENZOATE
Systematic Name English
BENZOIC ACID, 2,2'-(1,2-ETHANEDIYLBIS(IMINOCARBONYL))BIS-, DIAMMONIUM SALT
Systematic Name English
DIAZANIUM,2-(2-((2-CARBOXYLATOBENZOYL)AMINO)ETHYLCARBAMOYL)BENZOATE
Systematic Name English
Code System Code Type Description
PUBCHEM
44147148
Created by admin on Sat Dec 16 12:41:54 GMT 2023 , Edited by admin on Sat Dec 16 12:41:54 GMT 2023
PRIMARY
ECHA (EC/EINECS)
282-709-7
Created by admin on Sat Dec 16 12:41:54 GMT 2023 , Edited by admin on Sat Dec 16 12:41:54 GMT 2023
PRIMARY
CAS
84308-52-1
Created by admin on Sat Dec 16 12:41:54 GMT 2023 , Edited by admin on Sat Dec 16 12:41:54 GMT 2023
PRIMARY
FDA UNII
B4FN6SMA8J
Created by admin on Sat Dec 16 12:41:54 GMT 2023 , Edited by admin on Sat Dec 16 12:41:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID60233271
Created by admin on Sat Dec 16 12:41:54 GMT 2023 , Edited by admin on Sat Dec 16 12:41:54 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE