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

Details

Stereochemistry ACHIRAL
Molecular Formula C24H17N2O5S.Na
Molecular Weight 468.457
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Alizarin Rubinol R

SMILES

[Na+].CN1C(=O)C=C2C3=C(C=CC=C3)C(=O)C4=C(NC5=C(C=C(C)C=C5)S([O-])(=O)=O)C=CC1=C24

InChI

InChIKey=RNTNZRPCYDDMIA-UHFFFAOYSA-M
InChI=1S/C24H18N2O5S.Na/c1-13-7-8-17(20(11-13)32(29,30)31)25-18-9-10-19-22-16(12-21(27)26(19)2)14-5-3-4-6-15(14)24(28)23(18)22;/h3-12,25H,1-2H3,(H,29,30,31);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-47730
Preferred Name English
Alizarin Rubinol R
Common Name English
Benzenesulfonic acid, 2-[(2,7-dihydro-3-methyl-2,7-dioxo-3H-naphtho[1,2,3-de]quinolin-6-yl)amino]-5-methyl-, sodium salt
Systematic Name English
C.I. 68215
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID50884074
Created by admin on Tue Apr 01 20:05:33 GMT 2025 , Edited by admin on Tue Apr 01 20:05:33 GMT 2025
PRIMARY
FDA UNII
PL253FFC2S
Created by admin on Tue Apr 01 20:05:33 GMT 2025 , Edited by admin on Tue Apr 01 20:05:33 GMT 2025
PRIMARY
CAS
4478-76-6
Created by admin on Tue Apr 01 20:05:33 GMT 2025 , Edited by admin on Tue Apr 01 20:05:33 GMT 2025
PRIMARY
PUBCHEM
23677992
Created by admin on Tue Apr 01 20:05:33 GMT 2025 , Edited by admin on Tue Apr 01 20:05:33 GMT 2025
PRIMARY
NSC
47730
Created by admin on Tue Apr 01 20:05:33 GMT 2025 , Edited by admin on Tue Apr 01 20:05:33 GMT 2025
PRIMARY
ECHA (EC/EINECS)
224-759-4
Created by admin on Tue Apr 01 20:05:33 GMT 2025 , Edited by admin on Tue Apr 01 20:05:33 GMT 2025
PRIMARY