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Substance Name: 2-Methylthio-ATP
RN: 43170-89-4
UNII: Y37441OBL1
InChIKey: XNOBOKJVOTYSJV-VTHZCTBJSA-N

Note

  • Purinergic receptors agonist; relaxes mammalian gut preparations.

Molecular Formula

  • C11-H18-N5-O13-P3-S

Molecular Weight

  • 553.273
 

Classification Codes

  • Neurotransmitter Agents
  • Purinergic Agents
  • Purinergic Agonists
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Names and Synonyms

Name of Substance

  • 2-Methylthio-ATP

Synonyms

  • 2-Mesatp
  • 2-Methylthio-adenosine 5'-triphosphate
  • Mesatp cpd
  • UNII-Y37441OBL1

Systematic Name

  • Adenosine 5'-(tetrahydrogen triphosphate), 2-(methylthio)-

Registry Numbers

CAS Registry Number

  • 43170-89-4

FDA UNII

  • Y37441OBL1

System Generated Number

  • 0043170894

Structure Descriptors

InChI

1S/C11H18N5O13P3S/c1-33-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(27-10)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10?/m1/s1

InChIKey

XNOBOKJVOTYSJV-VTHZCTBJSA-N

Smiles

O1[C@H](CO[P@@](O[P@@](O)(OP(O)(=O)O)=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1[n@@]1c2c(nc1)c(nc(SC)n2)N