Ademethionine 1,4-Butanedisulfonate

Basic Information

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CAS Number

101020-79-5

Molecular Formula

C42H74N12O28S8

Molecular Weight

1451.62 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

125-135°C

SMILES

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OS(=O)(=O)CCCCS(=O)(=O)O.OS(=O)(=O)CCCCS(=O)(=O)O.[O-]S(=O)(=O)CCCCS(=O)(=O)[O-].C[S+](C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)CC[C@@H](C(=O)O)N.C[S+](C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)CC[C@@H](C(=O)O)N

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

InChIKey

QWARKYOPJRNOOU-RLUFNZFXSA-N

LogP

3.14480

Complexity

1040

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Ademetionine 1,4-butanedisulfonate
S-Adenosylmethionine 1,4-butanedisulfonate
(3S)-5'-[(3-Amino-3-carboxypropyl)methylsulfonio]-5'-deoxy-adenosine 1,4-butanedisulfonate 1,4-butanedisulfonate (2:1:2)
SAMe-1,4-Butanedisulfonate
1,4-Butanedisulfonate Ademetionine
Ademethionine 1,4-Butanedisulfonate
S-ADENOSYL-L-METHIONINE 1,4-BUTANEDISULFONATE SODIUM SALT
AdeMetionine 1,4-Butandisulphate
S-Adenosylmethione-1,4-butanedisulfonate
S-ADENOSYLMETHIONINE1,4-BUTANEDUSULFONATE
SAM 1,4-butanedisulfonate
Ademetionine 1,4-Butanedisulfonate(SAM)
S-Adenosylmethione-1,4-butanedisulfonate Sodium Salt