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MedKoo Cat#: 576679 | Name: Indocillin sodium

Description:

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

Indocillin sodium is a biochemical with potential therapeutic activity.

Chemical Structure

Indocillin sodium
Indocillin sodium
CAS#196309-78-1

Theoretical Analysis

MedKoo Cat#: 576679

Name: Indocillin sodium

CAS#: 196309-78-1

Chemical Formula: C27H25ClN3NaO6S

Exact Mass: 577.1050

Molecular Weight: 578.01

Elemental Analysis: C, 56.11; H, 4.36; Cl, 6.13; N, 7.27; Na, 3.98; O, 16.61; S, 5.55

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 #
No Data
Synonym
Indocillin sodium
IUPAC/Chemical Name
4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)amino)-3,3-dimethyl-7-oxo-, monosodium salt, (2S-(2-alpha,5-alpha,6-beta))-
InChi Key
MDATUXJELWDAGV-ZBXLSASTSA-M
InChi Code
InChI=1S/C27H26ClN3O6S.Na/c1-13-17(12-20(32)29-21-24(34)31-22(26(35)36)27(2,3)38-25(21)31)18-11-16(37-4)9-10-19(18)30(13)23(33)14-5-7-15(28)8-6-14;/h5-11,21-22,25H,12H2,1-4H3,(H,29,32)(H,35,36);/q;+1/p-1/t21-,22+,25-;/m1./s1
SMILES Code
[Na+].COc1ccc2c(c1)c(CC(=O)N[C@H]3[C@H]4SC(C)(C)[C@@H](N4C3=O)C(=O)[O-])c(C)n2C(=O)c5ccc(Cl)cc5
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 578.01 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