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MedKoo Cat#: 414336 | Name: Nerindocianine Free Base

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Nerindocianine Free Base is a Near-Infrared Imaging Dye

Chemical Structure

Nerindocianine Free Base
Nerindocianine Free Base
CAS#748120-01-6 (free base)

Theoretical Analysis

MedKoo Cat#: 414336

Name: Nerindocianine Free Base

CAS#: 748120-01-6 (free base)

Chemical Formula: C44H52N2O16S5

Exact Mass: 1024.1920

Molecular Weight: 1025.19

Elemental Analysis: C, 51.55; H, 5.11; N, 2.73; O, 24.97; S, 15.64

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
262284-03-7 (Na) 748120-01-6 (free base)
Synonym
Nerindocianine Free Base; Irdye 800 BK; Irdye 800-BK; Irdye 800BK; WHO11047; WHO-11047; WHO 11047
IUPAC/Chemical Name
3H-Indolium, 2-(2-(3-(2-(1,3-dihydro-3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)-2H-indol-2-ylidene)ethylidene)-2-(4-sulfophenoxy)-1-cyclohexen-1-yl)ethenyl)-3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)-, inner salt
InChi Key
FRMYEKPWHJAHIO-UHFFFAOYSA-N
InChi Code
InChI=1S/C44H52N2O16S5/c1-43(2)36-28-34(66(56,57)58)18-20-38(36)45(24-5-7-26-63(47,48)49)40(43)22-12-30-10-9-11-31(42(30)62-32-14-16-33(17-15-32)65(53,54)55)13-23-41-44(3,4)37-29-35(67(59,60)61)19-21-39(37)46(41)25-6-8-27-64(50,51)52/h12-23,28-29H,5-11,24-27H2,1-4H3,(H4-,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61)
SMILES Code
O=S(CCCC[N+]1=C(/C=C/C2=C(OC3=CC=C(S(=O)(O)=O)C=C3)/C(CCC2)=C/C=C4N(CCCCS(=O)(O)=O)C5=C(C=C(S(=O)(O)=O)C=C5)C/4(C)C)C(C)(C)C6=C1C=CC(S(=O)(O)=O)=C6)([O-])=O
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 1,025.19 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Huh WK, Johnson JL, Elliott E, Boone JD, Leath CA 3rd, Kovar JL, Kim KH. Fluorescence Imaging of the Ureter in Minimally Invasive Pelvic Surgery. J Minim Invasive Gynecol. 2021 Feb;28(2):332-341.e14. doi: 10.1016/j.jmig.2020.06.022. Epub 2020 Jun 29. PMID: 32615331. 2: Al-Taher M, Okamoto N, Felli E, Agnus V, Barberio M, Gioux S, Bouvy N, Stassen L, Marescaux J, Diana M. Noninvasive Near-Infrared Fluorescence Imaging of the Ureter During Robotic Surgery: A Demonstration in a Porcine Model. J Laparoendosc Adv Surg Tech A. 2020 Sep;30(9):962-966. doi: 10.1089/lap.2020.0399. Epub 2020 Jul 21. PMID: 32716245.