Cyanine 3 Monofunctional MTSEA Dye, Potassium Salt
Product Overview
Product Code
TRC-C960500
CAS Number
1381807-52-8
Product Format
Neat
Molecular Formula
C34H44KN3O9S4
Molecular Weight
806.09
Product Categories
Product Type
MetaboliteAlternate CAS Number
Free acid: 1381921-88-5
Documentation
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Product Information
Chemical Data
Analyte Name
Cyanine 3 Monofunctional MTSEA Dye, Potassium Salt
CAS Number
1381807-52-8
Molecular Formula
C34H44KN3O9S4
Molecular Weight
806.09
Accurate Mass
805.1597
SMILES
CC1(C)C(/C=C/C=C2C(C)(C)C3=CC(S(=O)(O[K])=O)=CC=C3N\2CC)=[N+](CCCCCC(NCCSS(C)(=O)=O)=O)C4=C1C=C(S(=O)([O-])=O)C=C4
InChI
InChI=1S/C34H45N3O9S4.K/c1-7-36-28-17-15-24(49(41,42)43)22-26(28)33(2,3)30(36)12-11-13-31-34(4,5)27-23-25(50(44,45)46)16-18-29(27)37(31)20-10-8-9-14-32(38)35-19-21-47-48(6,39)40;/h11-13,15-18,22-23H,7-10,14,19-21H2,1-6H3,(H2-,35,38,41,42,43,44,45,46);/q;+1/p-1
IUPAC
potassium;2-[3-(1-ethyl-3,3-dimethyl-5-sulfonatoindol-1-ium-2-yl)prop-2-enylidene]-3,3-dimethyl-1-[6-(2-methylsulfonylsulfanylethylamino)-6-oxohexyl]indole-5-sulfonate
Alternate CAS Number
Free acid: 1381921-88-5
Product Data
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite
Product Format
Neat
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