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Chemistry

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Also known as: Selatogrel [inn], 6dpk7o4pr7, Act-246475, 4-((r)-2-((6-((s)-3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carbonyl)amino)-3-phosphonopropionyl)piperazine-1-carboxylic acid butyl ester, 1159500-34-1, 1-piperazinecarboxylic acid, 4-((2r)-2-(((6-((3s)-3-methoxy-1-pyrrolidinyl)-2-phenyl-4-pyrimidinyl)carbonyl)amino)-1-oxo-3-phosphonopropyl)-, 1-butyl ester
Molecular Formula
C28H39N6O8P
Molecular Weight
618.6  g/mol
InChI Key
FYXHWMQPCJOJCH-GMAHTHKFSA-N
FDA UNII
6DPK7O4PR7

Selatogrel
Selatogrel is under investigation in clinical trial NCT03814200 (A Study to Investigate the Effect of Rifampicin on the Uptake and Breakdown of ACT-246475 in Healthy Subjects).
1 2D Structure

Selatogrel

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(2R)-3-(4-butoxycarbonylpiperazin-1-yl)-2-[[6-[(3S)-3-methoxypyrrolidin-1-yl]-2-phenylpyrimidine-4-carbonyl]amino]-3-oxopropyl]phosphonic acid
2.1.2 InChI
InChI=1S/C28H39N6O8P/c1-3-4-16-42-28(37)33-14-12-32(13-15-33)27(36)23(19-43(38,39)40)30-26(35)22-17-24(34-11-10-21(18-34)41-2)31-25(29-22)20-8-6-5-7-9-20/h5-9,17,21,23H,3-4,10-16,18-19H2,1-2H3,(H,30,35)(H2,38,39,40)/t21-,23-/m0/s1
2.1.3 InChI Key
FYXHWMQPCJOJCH-GMAHTHKFSA-N
2.1.4 Canonical SMILES
CCCCOC(=O)N1CCN(CC1)C(=O)C(CP(=O)(O)O)NC(=O)C2=CC(=NC(=N2)C3=CC=CC=C3)N4CCC(C4)OC
2.1.5 Isomeric SMILES
CCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CP(=O)(O)O)NC(=O)C2=CC(=NC(=N2)C3=CC=CC=C3)N4CC[C@@H](C4)OC
2.2 Other Identifiers
2.2.1 UNII
6DPK7O4PR7
2.3 Synonyms
2.3.1 MeSH Synonyms

1. ((2r)-3-(4-butoxycarbonylpiperazin-1-yl)-2-((6-((3s)-3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carbonyl)amino)-3-oxopropyl)phosphonic Acid

2. Act-246475

2.3.2 Depositor-Supplied Synonyms

1. Selatogrel [inn]

2. 6dpk7o4pr7

3. Act-246475

4. 4-((r)-2-((6-((s)-3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carbonyl)amino)-3-phosphonopropionyl)piperazine-1-carboxylic Acid Butyl Ester

5. 1159500-34-1

6. 1-piperazinecarboxylic Acid, 4-((2r)-2-(((6-((3s)-3-methoxy-1-pyrrolidinyl)-2-phenyl-4-pyrimidinyl)carbonyl)amino)-1-oxo-3-phosphonopropyl)-, 1-butyl Ester

7. Unii-6dpk7o4pr7

8. Schembl2928412

9. Chembl4297589

10. Db15163

11. J3.559.357h

12. ((2r)-3-(4-butoxycarbonylpiperazin-1-yl)-2-((6-((3s)-3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carbonyl)amino)-3-oxopropyl)phosphonic Acid

13. [(2~{r})-3-(4-butoxycarbonylpiperazin-1-yl)-2-[[6-[(3~{s})-3-methoxypyrrolidin-1-yl]-2-phenyl-pyrimidin-4-yl]carbonylamino]-3-oxidanylidene-propyl]phosphonic Acid; [(2r)-3-(4-butoxycarbonylpiperazin-1-yl)-2-[[6-[(3s)-3-methoxypyrrolidin-1-yl]-2-phenyl-pyrimidin-4-yl]carbonylamino]-3-oxidanylidene-propyl]phosphonic Acid; 4-((r)-2-((6-((s)-3-methoxypyrrolidin-1-yl)-2-phenylpyrimidine-4-carbonyl)amino)-3-phosphonopropionyl)piperazine-1-carboxylic Acid Butyl Ester

14. 7y5

2.4 Create Date
2012-08-20
3 Chemical and Physical Properties
Molecular Weight 618.6 g/mol
Molecular Formula C28H39N6O8P
XLogP30.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count12
Exact Mass618.25669922 g/mol
Monoisotopic Mass618.25669922 g/mol
Topological Polar Surface Area175 Ų
Heavy Atom Count43
Formal Charge0
Complexity986
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Indication

Treatment of acute myocardial infarction


ABOUT THIS PAGE

Selatogrel Manufacturers

A Selatogrel manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Selatogrel, including repackagers and relabelers. The FDA regulates Selatogrel manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Selatogrel API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

Selatogrel Suppliers

A Selatogrel supplier is an individual or a company that provides Selatogrel active pharmaceutical ingredient (API) or Selatogrel finished formulations upon request. The Selatogrel suppliers may include Selatogrel API manufacturers, exporters, distributors and traders.

Selatogrel GMP

Selatogrel Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Selatogrel GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Selatogrel GMP manufacturer or Selatogrel GMP API supplier for your needs.

Selatogrel CoA

A Selatogrel CoA (Certificate of Analysis) is a formal document that attests to Selatogrel's compliance with Selatogrel specifications and serves as a tool for batch-level quality control.

Selatogrel CoA mostly includes findings from lab analyses of a specific batch. For each Selatogrel CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Selatogrel may be tested according to a variety of international standards, such as European Pharmacopoeia (Selatogrel EP), Selatogrel JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Selatogrel USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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