MedKoo Cat#: 576500 | Name: ICI-213689

Description:

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

ICI-213689, also known as ZM 213689 and H 4295, is a meropenem metabolite (the 4-memeber ring is opened). ICI-213689 is existed as a mixture of 1-pyrroline I and its 2-pyrroline isomer, and NMR observed the coexistence of the two isomers at equilibrium in aqueous solutions.

Chemical Structure

ICI-213689
ICI-213689
CAS#124190-28-9

Theoretical Analysis

MedKoo Cat#: 576500

Name: ICI-213689

CAS#: 124190-28-9

Chemical Formula: C17H27N3O6S

Exact Mass: 401.1621

Molecular Weight: 401.48

Elemental Analysis: C, 50.86; H, 6.78; N, 10.47; O, 23.91; S, 7.99

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
H 4295; H-4295; H4295; ICI 213689; ICI-213689; ICI213689; UK 1a; ZM 213689; ZM-213689; ZM213689;
IUPAC/Chemical Name
2H-Pyrrole-2-acetic acid, 5-carboxy-4-(((3S,5S)-5-((dimethylamino)carbonyl)-3-pyrrolidinyl)thio)-3,4-dihydro-alpha-(1-hydroxyethyl)-3-methyl-, (alphaS,2S,3R,4S)-
InChi Key
CDYPSIIDXKMBLV-CFINEGTKSA-N
InChi Code
InChI=1S/C17H27N3O6S/c1-7-12(11(8(2)21)16(23)24)19-13(17(25)26)14(7)27-9-5-10(18-6-9)15(22)20(3)4/h7-12,14,18,21H,5-6H2,1-4H3,(H,23,24)(H,25,26)/t7-,8-,9+,10+,11-,12-,14+/m1/s1
SMILES Code
C[C@@H](O)[C@H]([C@@H]1N=C([C@@H](S[C@@H]2CN[C@@H](C2)C(=O)N(C)C)[C@@H]1C)C(=O)O)C(=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 401.48 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. Mouton JW, van den Anker JN. Meropenem clinical pharmacokinetics. Clin Pharmacokinet. 1995 Apr;28(4):275-86. doi: 10.2165/00003088-199528040-00002. PMID: 7648757.