Sodium 4-(1,1-dimethyl-2-oxo-1,2-dihydro-3H-b… 2776202-53-8

Name: Sodium 4-(1,1-dimethyl-2-oxo-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate
Brand: Vaqora Chemicals
SKU: VQ-031203

About Sodium 4-(1,1-dimethyl-2-oxo-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate

Vaqora Chemicals supplies Sodium 4-(1,1-dimethyl-2-oxo-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate, an impurity of Indocyanine green registered under CAS number 2776202-53-8. Its molecular formula is C18H21NO4S and its molecular weight is 347.4 g/mol. Systematically, it is named 4-(1,1-dimethyl-2-oxo-3H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate.

It is supplied as a solid. Store the standard in its sealed vial, protected from light and moisture, and follow the storage condition printed on the COA. Handle it with standard laboratory precautions and appropriate personal protective equipment.

As a characterised impurity of Indocyanine green, it is used for analytical method development, method validation (AMV) and routine quality-control testing, and it supports ANDA and DMF regulatory filings. Buyers come mainly from pharmaceutical manufacturing and academic and industrial research.

Standard pack sizes are 10 mg, 25 mg, 50 mg and 100 mg, and every batch ships with a Certificate of Analysis (COA) and we export worldwide.

Typical applications

Analytical method development
Method validation (AMV)
QC release testing
ANDA / DMF filings

Industries

Related to Indocyanine green

View every impurity, metabolite and intermediate we list for Indocyanine green.

Indocyanine green impurities

Specifications & identifiers

Chemical identifiers
Product name	Sodium 4-(1,1-dimethyl-2-oxo-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate
Catalogue No.	VQ-031203
CAS Number	2776202-53-8
IUPAC name	4-(1,1-dimethyl-2-oxo-3H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate
Molecular formula	C₁₈H₂₁NO₄S
Molecular weight	347.4 g/mol
Exact mass	347.1191
Grade	Reference Standard
HSN code	38229090
InChIKey	AORLHYGMJYDEHR-UHFFFAOYSA-N
SMILES	CC1(C2=C(C=CC3=CC=CC=C32)[NH+](C1=O)CCCCS(=O)(=O)[O-])C
PubChem CID	176486942

Physical properties
Physical form	Solid
LogP (XLogP3)	2.7
H-bond donors / acceptors	1 / 4
TPSA	87.1 Å²

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of Sodium 4-(1,1-dimethyl-2-oxo-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate?

The CAS Registry Number of Sodium 4-(1,1-dimethyl-2-oxo-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate is 2776202-53-8.

What is the molecular formula and molecular weight of Sodium 4-(1,1-dimethyl-2-oxo-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate?

Sodium 4-(1,1-dimethyl-2-oxo-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate has the molecular formula C18H21NO4S and a molecular weight of 347.4 g/mol. Its IUPAC name is 4-(1,1-dimethyl-2-oxo-3H-benzo[e]indol-3-ium-3-yl)butane-1-sulfonate.

What is Sodium 4-(1,1-dimethyl-2-oxo-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate used for?

Sodium 4-(1,1-dimethyl-2-oxo-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate is supplied as a characterised reference material related to Indocyanine green. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of Sodium 4-(1,1-dimethyl-2-oxo-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate can I order?

We supply Sodium 4-(1,1-dimethyl-2-oxo-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Sodium 4-(1,1-dimethyl-2-oxo-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate?

Yes. Every lot of Sodium 4-(1,1-dimethyl-2-oxo-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can Sodium 4-(1,1-dimethyl-2-oxo-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate be shipped internationally?

Yes. We export Sodium 4-(1,1-dimethyl-2-oxo-1,2-dihydro-3H-benzo[e]indol-3-yl)butane-1-sulfonate worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.