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Chemistry

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Also known as: 101020-79-5, Ademethionine 1,4-butanedisulfonate, [(3s)-3-amino-3-carboxypropyl]-[[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium;butane-1,4-disulfonate;butane-1,4-disulfonic acid, S-adenosylmethione-1,4-butanedisulfonate, Mfcd11111819, Akos024259134
Molecular Formula
C42H74N12O28S8
Molecular Weight
1451.6  g/mol
InChI Key
QWARKYOPJRNOOU-RLUFNZFXSA-N

Ademetionine 1,4-Butanedisulfonate
1 2D Structure

Ademetionine 1,4-Butanedisulfonate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(3S)-3-amino-3-carboxypropyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium;butane-1,4-disulfonate;butane-1,4-disulfonic acid
2.1.2 InChI
InChI=1S/2C15H22N6O5S.3C4H10O6S2/c2*1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21;3*5-11(6,7)3-1-2-4-12(8,9)10/h2*5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);3*1-4H2,(H,5,6,7)(H,8,9,10)/t2*7-,8+,10+,11+,14+,27?;;;/m00.../s1
2.1.3 InChI Key
QWARKYOPJRNOOU-RLUFNZFXSA-N
2.1.4 Canonical SMILES
C[S+](CCC(C(=O)O)N)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O.C[S+](CCC(C(=O)O)N)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O.C(CCS(=O)(=O)O)CS(=O)(=O)O.C(CCS(=O)(=O)O)CS(=O)(=O)O.C(CCS(=O)(=O)[O-])CS(=O)(=O)[O-]
2.1.5 Isomeric SMILES
C[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.C[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.C(CCS(=O)(=O)O)CS(=O)(=O)O.C(CCS(=O)(=O)O)CS(=O)(=O)O.C(CCS(=O)(=O)[O-])CS(=O)(=O)[O-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 101020-79-5

2. Ademethionine 1,4-butanedisulfonate

3. [(3s)-3-amino-3-carboxypropyl]-[[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium;butane-1,4-disulfonate;butane-1,4-disulfonic Acid

4. S-adenosylmethione-1,4-butanedisulfonate

5. Mfcd11111819

6. Akos024259134

7. Ac-32157

8. As-13888

9. D83220

10. J-000309

11. S-adenosylmethione-1,4-butanedisulfonate Sodium Salt

12. (3s)-5-[(3-amino-3-carboxypropyl)methylsulfonio]-5-deoxy-adenosine1,4-butanedisulfonate1,4-butanedisulfonate(2:1:2)

2.3 Create Date
2014-05-08
3 Chemical and Physical Properties
Molecular Weight 1451.6 g/mol
Molecular Formula C42H74N12O28S8
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count38
Rotatable Bond Count27
Exact Mass1450.2501191 g/mol
Monoisotopic Mass1450.2501191 g/mol
Topological Polar Surface Area749 Ų
Heavy Atom Count90
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count5

API Reference Price

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09-Jul-2021
30-Nov-2024
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API | Excipient name

Ademetionine 1,4-Butanedisulfonate

Synonyms

101020-79-5, Ademethionine 1,4-butanedisulfonate, [(3s)-3-amino-3-carboxypropyl]-[[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium;butane-1,4-disulfonate;butane-1,4-disulfonic acid, S-adenosylmethione-1,4-butanedisulfonate, Mfcd11111819, Akos024259134

Cas Number

101020-79-5

SAMe-1,4-Butanedisulfonate Manufacturers

A SAMe-1,4-Butanedisulfonate manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of SAMe-1,4-Butanedisulfonate, including repackagers and relabelers. The FDA regulates SAMe-1,4-Butanedisulfonate manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. SAMe-1,4-Butanedisulfonate API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

click here to find a list of SAMe-1,4-Butanedisulfonate manufacturers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PhamaCompass.

SAMe-1,4-Butanedisulfonate Suppliers

A SAMe-1,4-Butanedisulfonate supplier is an individual or a company that provides SAMe-1,4-Butanedisulfonate active pharmaceutical ingredient (API) or SAMe-1,4-Butanedisulfonate finished formulations upon request. The SAMe-1,4-Butanedisulfonate suppliers may include SAMe-1,4-Butanedisulfonate API manufacturers, exporters, distributors and traders.

click here to find a list of SAMe-1,4-Butanedisulfonate suppliers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PharmaCompass.

SAMe-1,4-Butanedisulfonate USDMF

A SAMe-1,4-Butanedisulfonate DMF (Drug Master File) is a document detailing the whole manufacturing process of SAMe-1,4-Butanedisulfonate active pharmaceutical ingredient (API) in detail. Different forms of SAMe-1,4-Butanedisulfonate DMFs exist exist since differing nations have different regulations, such as SAMe-1,4-Butanedisulfonate USDMF, ASMF (EDMF), JDMF, CDMF, etc.

A SAMe-1,4-Butanedisulfonate DMF submitted to regulatory agencies in the US is known as a USDMF. SAMe-1,4-Butanedisulfonate USDMF includes data on SAMe-1,4-Butanedisulfonate's chemical properties, information on the facilities and procedures used, and details about packaging and storage. The SAMe-1,4-Butanedisulfonate USDMF is kept confidential to protect the manufacturer’s intellectual property.

click here to find a list of SAMe-1,4-Butanedisulfonate suppliers with USDMF on PharmaCompass.

SAMe-1,4-Butanedisulfonate KDMF

In Korea, the Ministry of Food and Drug Safety (MFDS) is in charge of regulating pharmaceutical products and services.

Pharmaceutical companies submit a SAMe-1,4-Butanedisulfonate Drug Master File in Korea (SAMe-1,4-Butanedisulfonate KDMF) to the MFDS, which includes comprehensive information about the production, processing, facilities, materials, packaging, and testing of SAMe-1,4-Butanedisulfonate. The MFDS reviews the SAMe-1,4-Butanedisulfonate KDMF as part of the drug registration process and uses the information provided in the SAMe-1,4-Butanedisulfonate KDMF to evaluate the safety and efficacy of the drug.

After submitting a SAMe-1,4-Butanedisulfonate KDMF to the MFDS, the registered manufacturer can provide importers or distributors with the registration number without revealing confidential information to Korean business partners. Applicants seeking to register their SAMe-1,4-Butanedisulfonate API can apply through the Korea Drug Master File (KDMF).

click here to find a list of SAMe-1,4-Butanedisulfonate suppliers with KDMF on PharmaCompass.

SAMe-1,4-Butanedisulfonate GMP

SAMe-1,4-Butanedisulfonate 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 SAMe-1,4-Butanedisulfonate 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 SAMe-1,4-Butanedisulfonate GMP manufacturer or SAMe-1,4-Butanedisulfonate GMP API supplier for your needs.

SAMe-1,4-Butanedisulfonate CoA

A SAMe-1,4-Butanedisulfonate CoA (Certificate of Analysis) is a formal document that attests to SAMe-1,4-Butanedisulfonate's compliance with SAMe-1,4-Butanedisulfonate specifications and serves as a tool for batch-level quality control.

SAMe-1,4-Butanedisulfonate CoA mostly includes findings from lab analyses of a specific batch. For each SAMe-1,4-Butanedisulfonate 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.

SAMe-1,4-Butanedisulfonate may be tested according to a variety of international standards, such as European Pharmacopoeia (SAMe-1,4-Butanedisulfonate EP), SAMe-1,4-Butanedisulfonate JP (Japanese Pharmacopeia) and the US Pharmacopoeia (SAMe-1,4-Butanedisulfonate 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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