Chemical Compound

MTDIA HCL

CAS Registry Number1399840-35-7
MTDIA HCL chemical structure
Primary record

MTDIA HCL

CAS
1399840-35-7
PubChem CID
139266793
SMILES
CSC[C@H]1C[NH+](C[C@@H]1O)CC2=CNC3=C2N=CN=C3N.[Cl-]
Molecular Formula
C13H20ClN5OS
Molecular Weight
329.857
Exact Mass
329.1077
InChI
InChI=1S/C13H19N5OS.ClH/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14;/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17);1H/t9-,10+;/m1./s1
InChIKey
XQKMBJFGNRIATG-UXQCFNEQSA-N
LogP
-3.7173
TPSA
92.26

Names and synonyms

  • MTDIA HCL
  • MTDIAHydrochloride
  • MTDIA hydrochloride
  • MT-DADMe-ImmA?
  • MT-DADMe-ImmA(MTDIA HCl)
  • 1399840-35-7
  • BCP20345
  • EX-A5565
  • 1399840-35-7 (HCl)
  • (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-3-hydroxy-4-((methylthio)methyl)pyrrolidin-1-ium chloride
  • B0084-475405
  • (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(methylsulfanylmethyl)pyrrolidin-1-ium-3-ol;chloride
  • MTDIA;Methylthio-DADMe-Immucillin A; MT-DADMe-ImmA; MT-DADMe-ImmA HCl
  • 653592-04-2