13529-31-2 Usage
Description
(2b,3a,16b,17b)-2,16-Bispiperidino-3,17-diacetoxy-5-androstane is a complex organic compound with a unique molecular structure. It is characterized by the presence of two piperidino groups at the 2 and 16 positions, as well as two acetoxy groups at the 3 and 17 positions. (2b,3a,16b,17b)-2,16-Bispiperidino-3,17-diacetoxy-5-androstane belongs to the class of androstane derivatives, which are known for their diverse biological activities and potential applications in various fields.
Uses
1. Used in Pharmaceutical Industry:
(2b,3a,16b,17b)-2,16-Bispiperidino-3,17-diacetoxy-5-androstane is used as an intermediate in the synthesis of various pharmaceutical compounds. Its unique structure and functional groups make it a valuable building block for the development of new drugs with potential therapeutic applications.
2. Used in Research and Development:
(2b,3a,16b,17b)-2,16-Bispiperidino-3,17-diacetoxy-5-androstane is also used in research and development for studying its chemical properties, reactivity, and potential interactions with other molecules. Understanding these aspects can help in the design and development of new drugs and materials with improved properties and applications.
3. Used in Quality Control and Impurity Profiling:
(2b,3a,16b,17b)-2,16-Bispiperidino-3,17-diacetoxy-5-androstane can be used as a reference compound for quality control and impurity profiling in the synthesis of related pharmaceutical compounds. By comparing the properties and behavior of this compound with those of the synthesized products, researchers can ensure the purity and quality of the final drug substances.
Check Digit Verification of cas no
The CAS Registry Mumber 13529-31-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,3,5,2 and 9 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 13529-31:
(7*1)+(6*3)+(5*5)+(4*2)+(3*9)+(2*3)+(1*1)=92
92 % 10 = 2
So 13529-31-2 is a valid CAS Registry Number.
InChI:InChI=1/C32H52N2O5/c1-21(35)38-29-26(33-14-6-4-7-15-33)19-25-23-11-10-22-18-28(39-30(36)37)27(34-16-8-5-9-17-34)20-32(22,3)24(23)12-13-31(25,29)2/h22-29H,4-20H2,1-3H3,(H,36,37)/t22?,23?,24?,25?,26-,27-,28-,29-,31-,32-/m0/s1
13529-31-2Relevant articles and documents
Vecuronium bromide and its advanced intermediates: A crystallographic and spectroscopic study
Ciceri, Samuele,Colombo, Diego,Ferraboschi, Patrizia,Grisenti, Paride,Iannone, Marco,Mori, Matteo,Meneghetti, Fiorella
, (2021/10/25)
Vecuronium bromide (Piperidinium, 1-[(2β,3α,5α,16β,17β)-3,17-bis(acetyloxy)-2-(1-piperidinyl)androstan-16-yl]-1-methyl-, bromide; Norcuron) has been extensively used in anesthesiology practice as neuromuscular blocking agent since its launch on the market in 1982. However, a detailed crystallographic and NMR analysis of its advanced synthetic intermediates is still lacking. Hence, with the aim of filling this literature gap, vecuronium bromide was prepared starting from the commercially available 3β-hydroxy-5α-androstan-17-one (epiandrosterone), implementing some modifications to a traditional synthetic procedure. A careful NMR study allowed the complete assignment of the 1H, 13C, and 15N NMR signals of vecuronium bromide and its synthetic intermediates. The structural and stereochemical characterization of 2β,16β-bispiperidino-5α-androstane-3α,17β-diol, the first advanced synthetic intermediate carrying all the stereocenters in the final configuration, was described by means of single-crystal X-ray diffraction and Hirshfeld surface analysis, allowing a detailed conformational investigation.
