Details
Stereochemistry | ACHIRAL |
Molecular Formula | 2C27H31N2O7S2.Ca |
Molecular Weight | 1159.426 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Ca++].CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(C=C2)=[N+](CC)CC)C3=C(C=C(C(O)=C3)S([O-])(=O)=O)S([O-])(=O)=O.CCN(CC)C4=CC=C(C=C4)C(=C5C=CC(C=C5)=[N+](CC)CC)C6=C(C=C(C(O)=C6)S([O-])(=O)=O)S([O-])(=O)=O
InChI
InChIKey=RTMBGDBBDQKNNZ-UHFFFAOYSA-L
InChI=1S/2C27H32N2O7S2.Ca/c2*1-5-28(6-2)21-13-9-19(10-14-21)27(20-11-15-22(16-12-20)29(7-3)8-4)23-17-24(30)26(38(34,35)36)18-25(23)37(31,32)33;/h2*9-18H,5-8H2,1-4H3,(H2-,30,31,32,33,34,35,36);/q;;+2/p-2
Approval Year
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JECFA EVALUATION |
INS-131
Created by
admin on Fri Dec 15 18:54:03 GMT 2023 , Edited by admin on Fri Dec 15 18:54:03 GMT 2023
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8QE473DV1Z
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DTXSID00873918
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Patent Blue V
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100000124131
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75430
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77073
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DBSALT002674
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3536-49-0
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222-573-8
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8QE473DV1Z
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5010
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SUB31533
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admin on Fri Dec 15 18:54:03 GMT 2023 , Edited by admin on Fri Dec 15 18:54:03 GMT 2023
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PARENT (SALT/SOLVATE)
SUBSTANCE RECORD