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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H12N4O10S2.2Na
Molecular Weight 578.44
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DISODIUM 4-((6-AMINO-1-HYDROXY-3-SULFO-2-NAPHTHYL)AZO)-3-HYDROXY-7-NITRO-1-NAPHTHALENESULFONATE

SMILES

[Na+].[Na+].NC1=CC2=CC(=C(\N=N\C3=C4C=CC(=CC4=C(C=C3O)S([O-])(=O)=O)[N+]([O-])=O)C(O)=C2C=C1)S([O-])(=O)=O

InChI

InChIKey=AHVMGNOEXVJLBW-VPMNAVQSSA-L
InChI=1S/C20H14N4O10S2.2Na/c21-10-1-3-12-9(5-10)6-17(36(32,33)34)19(20(12)26)23-22-18-13-4-2-11(24(27)28)7-14(13)16(8-15(18)25)35(29,30)31;;/h1-8,25-26H,21H2,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2/b23-22+;;

HIDE SMILES / InChI

Molecular Formula C20H12N4O10S2
Molecular Weight 532.46
Charge -2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
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 19:11:10 GMT 2023
Edited
by admin
on Sat Dec 16 19:11:10 GMT 2023
Record UNII
UQF59X9H11
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DISODIUM 4-((6-AMINO-1-HYDROXY-3-SULFO-2-NAPHTHYL)AZO)-3-HYDROXY-7-NITRO-1-NAPHTHALENESULFONATE
Common Name English
1-NAPHTHALENESULFONIC ACID, 4-(2-(6-AMINO-1-HYDROXY-3-SULFO-2-NAPHTHALENYL)DIAZENYL)-3-HYDROXY-7-NITRO-, SODIUM SALT (1:2)
Systematic Name English
Code System Code Type Description
CAS
1407097-18-0
Created by admin on Sat Dec 16 19:11:10 GMT 2023 , Edited by admin on Sat Dec 16 19:11:10 GMT 2023
PRIMARY
PUBCHEM
121225722
Created by admin on Sat Dec 16 19:11:10 GMT 2023 , Edited by admin on Sat Dec 16 19:11:10 GMT 2023
PRIMARY
FDA UNII
UQF59X9H11
Created by admin on Sat Dec 16 19:11:10 GMT 2023 , Edited by admin on Sat Dec 16 19:11:10 GMT 2023
PRIMARY