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Details

Stereochemistry ACHIRAL
Molecular Formula C37H34N2O9S3.2H4N
Molecular Weight 782.946
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIAMMONIUM ETHYL(4-(P-(ETHYL(O-SULFOBENZYL)AMINO)-.ALPHA.-(O-SULFOPHENYL)BENZYLIDENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)O-SULFOBENZYLAMMONIUM HYDROXIDE

SMILES

[NH4+].[NH4+].CCN(CC1=C(C=CC=C1)S([O-])(=O)=O)C2=CC=C(C=C2)C(=C3C=CC(C=C3)=[N+](CC)CC4=CC=CC=C4S([O-])(=O)=O)C5=C(C=CC=C5)S([O-])(=O)=O

InChI

InChIKey=CRTAHKAFEWGEMS-UHFFFAOYSA-N
InChI=1S/C37H36N2O9S3.2H3N/c1-3-38(25-29-11-5-8-14-34(29)49(40,41)42)31-21-17-27(18-22-31)37(33-13-7-10-16-36(33)51(46,47)48)28-19-23-32(24-20-28)39(4-2)26-30-12-6-9-15-35(30)50(43,44)45;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);2*1H3

HIDE SMILES / InChI

Molecular Formula C37H36N2O9S3
Molecular Weight 748.885
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:10:57 GMT 2023
Edited
by admin
on Fri Dec 15 16:10:57 GMT 2023
Record UNII
UA7DCP63XV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIAMMONIUM ETHYL(4-(P-(ETHYL(O-SULFOBENZYL)AMINO)-.ALPHA.-(O-SULFOPHENYL)BENZYLIDENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)O-SULFOBENZYLAMMONIUM HYDROXIDE
Common Name English
DIAMMONIUM ETHYL(4-(P-(ETHYL(O-SULFOBENZYL)AMINO)-.ALPHA.-(O-SULFOPHENYL)BENZYLIDENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)O-SULFOBENZYLAMMONIUM HYDROXIDE INNER SALT
Common Name English
Code System Code Type Description
PUBCHEM
91617672
Created by admin on Fri Dec 15 16:10:57 GMT 2023 , Edited by admin on Fri Dec 15 16:10:57 GMT 2023
PRIMARY
FDA UNII
UA7DCP63XV
Created by admin on Fri Dec 15 16:10:57 GMT 2023 , Edited by admin on Fri Dec 15 16:10:57 GMT 2023
PRIMARY