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MedKoo Cat#: 412446 | Name: Catharinine

Description:

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

Catharinine is a biochemical

Chemical Structure

Catharinine
Catharinine
CAS#58511-83-4

Theoretical Analysis

MedKoo Cat#: 412446

Name: Catharinine

CAS#: 58511-83-4

Chemical Formula: C46H56N4O10

Exact Mass: 824.3996

Molecular Weight: 824.97

Elemental Analysis: C, 66.97; H, 6.84; N, 6.79; O, 19.39

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
Catharinine; Vinamidine
IUPAC/Chemical Name
methyl (3aR,3a1R,4R,5R,5aR,10bR)-4-acetoxy-3a-ethyl-9-((5R,7S)-3-formyl-7-(methoxycarbonyl)-5-(2-oxobutyl)-1,2,3,4,5,6,7,8-octahydroazonino[5,4-b]indol-7-yl)-5-hydroxy-8-methoxy-6-methyl-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate
InChi Key
AQXVANXWKSPKMX-RSAMFGMZSA-N
InChi Code
InChI=1S/C46H56N4O10/c1-8-29(53)21-28-24-45(41(54)58-6,37-31(15-19-49(25-28)26-51)30-13-10-11-14-34(30)47-37)33-22-32-35(23-36(33)57-5)48(4)39-44(32)17-20-50-18-12-16-43(9-2,38(44)50)40(60-27(3)52)46(39,56)42(55)59-7/h10-14,16,22-23,26,28,38-40,47,56H,8-9,15,17-21,24-25H2,1-7H3/t28-,38-,39+,40+,43+,44+,45-,46+/m0/s1
SMILES Code
CCC(C[C@@H]1CN(C=O)CCc(c([C@@](C(OC)=O)(c2c(OC)cc(N([C@H]3[C@@]([C@@H]([C@@]4(C=CCN5CC[C@]63[C@H]45)CC)OC(C)=O)(C(OC)=O)O)C)c6c2)C1)[nH]7)c8c7cccc8)=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
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
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 824.97 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: Elmarakby SA, Duffel MW, Goswami A, Sariaslani FS, Rosazza JP. In vitro metabolic transformations of vinblastine: oxidations catalyzed by peroxidase. J Med Chem. 1989 Mar;32(3):674-9. doi: 10.1021/jm00123a030. PMID: 2918516. 2: Elmarakby SA, Duffel MW, Rosazza JP. In vitro metabolic transformations of vinblastine: oxidations catalyzed by human ceruloplasmin. J Med Chem. 1989 Sep;32(9):2158-62. doi: 10.1021/jm00129a023. PMID: 2769688. 3: Romero-Fernández MP, Ávalos M, Babiano R, Cintas P, Jiménez JL, Palacios JC. Rethinking aromaticity in H-bonded systems. Caveats for transition structures involving hydrogen transfer and π-delocalization. J Phys Chem A. 2015 Jan 22;119(3):525-34. doi: 10.1021/jp5113735. Epub 2015 Jan 9. PMID: 25531557. 4: Wypych JC, Nguyen TM, Bénéchie M, Marazano C. Reaction of aldimine anions with vinamidinium chloride: three-component access to 3-alkylpyridines and 3-alkylpyridinium salts and access to 2-alkyl glutaconaldehyde derivatives. J Org Chem. 2008 Feb 1;73(3):1169-72. doi: 10.1021/jo702311k. Epub 2008 Jan 10. PMID: 18184007.