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Substance Name: D&C Blue No. 4
RN: 6371-85-3
UNII: 5130S0U11X
InChIKey: TVCBMJCHKADLEE-UHFFFAOYSA-N

Molecular Weight

  • 782.9558
 
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Names and Synonyms

Name of Substance

  • D&C Blue No. 4

Synonym

  • UNII-5130S0U11X

Registry Numbers

CAS Registry Number

  • 6371-85-3

FDA UNII

  • 5130S0U11X

System Generated Number

  • 0006371853

Structure Descriptors

InChI

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

InChIKey

TVCBMJCHKADLEE-UHFFFAOYSA-N

Smiles

CCN(Cc1ccc(cc1)S(=O)(=O)[O-])c2ccc(cc2)C(=C3C=CC(=[N+](CC)Cc4ccc(cc4)S(=O)(=O)[O-])C=C3)c5ccccc5S(=O)(=O)[O-].[NH4+].[NH4+]