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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H16N4O8S2
Molecular Weight 504.493
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ACID RED 186 FREE ACID

SMILES

CC1=NN(C(O)=C1\N=N\C2=C(O)C=C(C3=CC=CC=C23)S(O)(=O)=O)C4=CC=CC(=C4)S(O)(=O)=O

InChI

InChIKey=VGKHKXLKQJVMER-QURGRASLSA-N
InChI=1S/C20H16N4O8S2/c1-11-18(20(26)24(23-11)12-5-4-6-13(9-12)33(27,28)29)21-22-19-15-8-3-2-7-14(15)17(10-16(19)25)34(30,31)32/h2-10,25-26H,1H3,(H,27,28,29)(H,30,31,32)/b22-21+

HIDE SMILES / InChI

Molecular Formula C20H16N4O8S2
Molecular Weight 504.493
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:21:27 GMT 2023
Edited
by admin
on Sat Dec 16 08:21:27 GMT 2023
Record UNII
M0FT3OUY0D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACID RED 186 FREE ACID
Common Name English
1-NAPHTHALENESULFONIC ACID, 4-((4,5-DIHYDRO-3-METHYL-5-OXO-1-(3-SULFOPHENYL)-1H-PYRAZOL-4-YL)AZO)-3-HYDROXY-
Systematic Name English
J2.886.590B
Code English
1-NAPHTHALENESULFONIC ACID, 3-HYDROXY-4-(2-(5-HYDROXY-3-METHYL-1-(3-SULFOPHENYL)-1H-PYRAZOL-4-YL)DIAZENYL)-
Systematic Name English
3-HYDROXY-4-((5-HYDROXY-3-METHYL-1-(3-SULFOPHENYL)-1H-PYRAZOL-4-YL)DIAZENYL)-1-NAPHTHALENESULFONIC ACID
Systematic Name English
3-HYDROXY-4-((1-(3-SULFOPHENYL)-3-METHYL-5-HYDROXY-1H-PYRAZOLE-4-YL)AZO)-1-NAPHTHALENESULFONIC ACID
Systematic Name English
1-NAPHTHALENESULFONIC ACID, 4-(2-(4,5-DIHYDRO-3-METHYL-5-OXO-1-(3-SULFOPHENYL)-1H-PYRAZOL-4-YL)DIAZENYL)-3-HYDROXY-
Systematic Name English
Code System Code Type Description
FDA UNII
M0FT3OUY0D
Created by admin on Sat Dec 16 08:21:27 GMT 2023 , Edited by admin on Sat Dec 16 08:21:27 GMT 2023
PRIMARY
PUBCHEM
6328295
Created by admin on Sat Dec 16 08:21:27 GMT 2023 , Edited by admin on Sat Dec 16 08:21:27 GMT 2023
PRIMARY
CAS
1265968-15-7
Created by admin on Sat Dec 16 08:21:27 GMT 2023 , Edited by admin on Sat Dec 16 08:21:27 GMT 2023
ALTERNATIVE
CAS
50335-05-2
Created by admin on Sat Dec 16 08:21:27 GMT 2023 , Edited by admin on Sat Dec 16 08:21:27 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT