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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H7NO7S2.Ca
Molecular Weight 357.373
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,7-Naphthalenedisulfonic acid, 2-amino-5-hydroxy-, calcium salt

SMILES

[Ca++].NC1=CC=C2C(O)=CC(=CC2=C1S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=AZDYEJCAXVRIQN-UHFFFAOYSA-L
InChI=1S/C10H9NO7S2.Ca/c11-8-2-1-6-7(10(8)20(16,17)18)3-5(4-9(6)12)19(13,14)15;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);/q;+2/p-2

HIDE SMILES / InChI

Molecular Formula C10H7NO7S2
Molecular Weight 317.295
Charge -2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
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 12:12:20 GMT 2023
Edited
by admin
on Sat Dec 16 12:12:20 GMT 2023
Record UNII
YJ83N2FQJ5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,7-Naphthalenedisulfonic acid, 2-amino-5-hydroxy-, calcium salt
Systematic Name English
Calcium 2-amino-5-hydroxynaphthalene-1,7-disulphonate
Systematic Name English
Calcium 2-amino-5-hydroxynaphthalene-1,7-disulfonate
Systematic Name English
1,7-Naphthalenedisulfonic acid, 2-amino-5-hydroxy-, calcium salt (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
YJ83N2FQJ5
Created by admin on Sat Dec 16 12:12:20 GMT 2023 , Edited by admin on Sat Dec 16 12:12:20 GMT 2023
PRIMARY
CAS
83763-46-6
Created by admin on Sat Dec 16 12:12:20 GMT 2023 , Edited by admin on Sat Dec 16 12:12:20 GMT 2023
PRIMARY
PUBCHEM
3019282
Created by admin on Sat Dec 16 12:12:20 GMT 2023 , Edited by admin on Sat Dec 16 12:12:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID90232616
Created by admin on Sat Dec 16 12:12:20 GMT 2023 , Edited by admin on Sat Dec 16 12:12:20 GMT 2023
PRIMARY
ECHA (EC/EINECS)
280-732-7
Created by admin on Sat Dec 16 12:12:20 GMT 2023 , Edited by admin on Sat Dec 16 12:12:20 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE