101020-79-5, Ademetionine 1,4-butanedisulfonate,
CAS:101020-79-5
C42H74N12O28S8 / 1451.62
MFCD11111819
Ademetionine 1,4-butanedisulfonate
S-adenosylmethionine is a compound that is naturally produced in the body and has been shown to be involved in many biochemical reactions. It can be found as a supplement at health food stores, but also is available as a prescription for the treatment of certain liver diseases such as hepatitis. S-adenosylmethionine may have some drug transporter function and can affect the metabolism of other drugs. S-adenosylmethionine 1,4-butanedisulfonate (SAMe) is an active form of methionine that may be used to treat abnormal laboratory values, such as elevated levels of albumin concentration or growth factor. SAMe has been shown to inhibit liver lesions and liver cells in both rats and humans. It also increases hematopoietic cells, which are cells that produce blood cells.
CAS Number | 101020-79-5 |
Product Name | SAMe-1,4-Butanedisulfonate |
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 |
Molecular Formula | C42H74N12O28S8 |
Molecular Weight | 1451.62 |
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 |
InChI Key | QWARKYOPJRNOOU-RLUFNZFXSA-N |
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-] |
Synonyms | (3S)-5’-[(3-Amino-3-carboxypropyl)methylsulfonio]-5’-deoxyadenosine 1,4-Butanedisulfonate 1,4-Butanedisulfonate (2:1:2);1,4-Butanedisulfonic Acid, ion(2-)Bis[(3S)-5’-[(3-amino-3-carboxypropyl)methylsulfonio]-5’-deoxyadenosine] 1,4-Butanedisulfonate |
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