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Merck
CN

00409

Iris 7-WS carboxylic acid

Synonym(s):

2-{2-{2-[4-(4-Carboxybutyrylamino)phenoxy]-3-{2-[1-(hex-5-ynyl)-1,3-dihydro-3,3-dimethyl-5-sulfoindol-2-ylidene]ethylidene}cyclohex-1-enyl}vinyl}-1-(hex-5-ynyl)-3,3-dimethyl-3H-indolium-5-sulfonate monopotassium salt

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About This Item

Empirical Formula (Hill Notation):
C53H58KN3O10S2
CAS Number:
1356154-86-3
Molecular Weight:
1000.27
UNSPSC Code:
41116105
PubChem Substance ID:
329747064
MDL number:
MFCD18452825

Key Documents

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InChI

1S/C53H59N3O10S2.K/c1-7-9-11-13-33-55-45-29-27-41(67(60,61)62)35-43(45)52(3,4)47(55)31-21-37-17-15-18-38(51(37)66-40-25-23-39(24-26-40)54-49(57)19-16-20-50(58)59)22-32-48-53(5,6)44-36-42(68(63,64)65)28-30-46(44)56(48)34-14-12-10-8-2;/h1-2,21-32,35-36H,9-20,33-34H2,3-6H3,(H3-,54,57,58,59,60,61,62,63,64,65);/q;+1/p-1

SMILES string

[K+].CC1(C)/C(=C\C=C2/CCCC(\C=C\C3=[N+](CCCCC#C)c4ccc(cc4C3(C)C)S([O-])(=O)=O)=C2Oc5ccc(NC(=O)CCCC(O)=O)cc5)N(CCCCC#C)c6ccc(cc16)S([O-])(=O)=O

InChI key

YQXFZXZEZDXDBU-UHFFFAOYSA-M

fluorescence

λex 777 nm; λem 796 nm in 0.1 M phosphate pH 7.0

storage temp.

−20°C

Biochem/physiol Actions

The dye can be activated at the carboxy group for coupling purposes.

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
BCBD7363V
BCBD7363

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Chiara A Bertolino et al.
Journal of fluorescence, 16(2), 221-225 (2006-05-03)
A series of novel functionalized, water-soluble, pH-unsensitive, highly photostable heptamethine cyanine dyes (HCDs) has been synthesized. The aim of the synthesis was to obtain novel effective probes for fluorescence detection in the near infrared. Synthesis and characterization of a special

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