CAS Registry Number®
CAS Name
Adenosine, 5′-[[(3S)-3-amino-3-carboxypropyl]methylsulfonio]-5′-deoxy-, sulfate, 4-methylbenzenesulfonate sulfate (1:1:1:1)
Molecular Formula
C15H23N6O5S.C7H8O3S.H2O4S.HO4S
Other Names and Identifiers
InChI
InChI=1S/C15H22N6O5S.C7H8O3S.2H2O4S/c1-27(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;1-6-2-4-7(5-3-6)11(8,9)10;2*1-5(2,3)4/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);2-5H,1H3,(H,8,9,10);2*(H2,1,2,3,4)/t7-,8+,10+,11+,14+,27?;;;/m0…/s1
InChIKey
InChIKey=XDCFCHNAIMYBAZ-XQVUROGGSA-N
SMILES
S(=O)(=O)(O)O.S(=O)(=O)(O)C1=CC=C(C)C=C1.S(=O)(=O)([O-])O.O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](C[S+](CC[C@@H](C(O)=O)N)C)[C@H]1O
Canonical SMILES
O=C(O)C(N)CC[S+](C)CC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1O.O=S(=O)([O-])O.O=S(=O)(O)O.O=S(=O)(O)C1=CC=C(C=C1)C
Other Names for this Substance
- Adenosine, 5′-[[(3S)-3-amino-3-carboxypropyl]methylsulfonio]-5′-deoxy-, sulfate, 4-methylbenzenesulfonate sulfate (1:1:1:1)
- Adenosine, 5′-[(3-amino-3-carboxypropyl)methylsulfonio]-5′-deoxy-, (3S)-, sulfate (salt), 4-methylbenzenesulfonate (salt) sulfate (salt) (1:1:1:1)
- Adenosine, 5′-[[(3S)-3-amino-3-carboxypropyl]methylsulfonio]-5′-deoxy-, sulfate (salt), 4-methylbenzenesulfonate (salt) sulfate (salt) (1:1:1:1)
- FO 1561
- S-Adenosyl-L-methionine disulfate tosylate
Deleted or Replaced CAS Registry Numbers
110899-33-7, 113883-52-6, 137088-54-1, 89365-51-5
