MedKoo Cat#: 122739 | Name: XUN23115
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Description:

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

Also known as TR X NHS ester, 5-isomer.

Chemical Structure

XUN23115
XUN23115
CAS#178623-11-5

Theoretical Analysis

MedKoo Cat#: 122739

Name: XUN23115

CAS#: 178623-11-5

Chemical Formula: C41H44N4O10S2

Exact Mass: 816.2500

Molecular Weight: 816.94

Elemental Analysis: C, 60.28; H, 5.43; N, 6.86; O, 19.58; S, 7.85

Price and Availability

Size Price Availability Quantity
1mg USD 450.00 2 Weeks
5mg USD 750.00 2 Weeks
10mg USD 1,050.00 2 Weeks
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Related CAS #
No Data
Synonym
TR X NHS ester, 5-isomer; 178623-11-5; BP-28892
IUPAC/Chemical Name
N/A
InChi Key
XTKWFJCUACVTMF-UHFFFAOYSA-N
InChi Code
InChI=1S/C41H44N4O10S2/c46-34-15-16-35(47)45(34)55-36(48)12-2-1-3-17-42-56(49,50)27-13-14-33(57(51,52)53)30(24-27)37-31-22-25-8-4-18-43-20-6-10-28(38(25)43)40(31)54-41-29-11-7-21-44-19-5-9-26(39(29)44)23-32(37)41/h13-14,22-24,42H,1-12,15-21H2
SMILES Code
O=C(CC1)N(OC(CCCCCNS(C2=CC(C3=C4C(OC5=C3C=C6CCCN7CCCC5=C76)=C8CCC[N+](CCC9)=C8C9=C4)=C(C=C2)S(=O)([O-])=O)(=O)=O)=O)C1=O
Appearance
To be determined
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 816.94 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