Name: Cibacron Blue 3G-A
Brand: SIAL

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About This Item

Empirical Formula (Hill Notation):

C₂₉H₂₀ClN₇O₁₁S₃

CAS Number:

84166-13-2

Molecular Weight:

774.16

UNSPSC Code:

12171500

PubChem Substance ID:

24893169

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SMILES string

Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccccc4S(O)(=O)=O)n3)c(c2)S(O)(=O)=O)c5C(=O)c6ccccc6C(=O)c15)S(O)(=O)=O

InChI

1S/C29H20ClN7O11S3/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)

InChI key

YKCWQPZFAFZLBI-UHFFFAOYSA-N

Gene Information

rat ... P2rx1(25505)

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Other Notes

This dye and some commercially available Reactive Blue 2 preparations have the A-ring o-sulfonic acid structure. However, this is not the isomer recognized in literature (CA Registry No. 12236-82-7) as Reactive Blue 2.

Linkage

Formerly listed as Reactive Blue2 (R4502)

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