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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H14N4O4S.2H2O
Molecular Weight 334.349
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYLTHIOINOSINE DIHYDRATE

SMILES

O.O.CSC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O

InChI

InChIKey=CYFMOODRDYATGZ-LYYWGVPGSA-N
InChI=1S/C11H14N4O4S.2H2O/c1-20-10-6-9(12-3-13-10)15(4-14-6)11-8(18)7(17)5(2-16)19-11;;/h3-5,7-8,11,16-18H,2H2,1H3;2*1H2/t5-,7-,8-,11-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C11H14N4O4S
Molecular Weight 298.318
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:34:39 UTC 2023
Edited
by admin
on Sat Dec 16 09:34:39 UTC 2023
Record UNII
LG7L4NU85R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYLTHIOINOSINE DIHYDRATE
Systematic Name English
6-METHYLMERCAPTOPURINE RIBOSIDE DIHYDRATE
Common Name English
INOSINE, 6-S-METHYL-6-THIO-, DIHYDRATE
Systematic Name English
Code System Code Type Description
CAS
7143-67-1
Created by admin on Sat Dec 16 09:34:40 UTC 2023 , Edited by admin on Sat Dec 16 09:34:40 UTC 2023
PRIMARY
PUBCHEM
23616818
Created by admin on Sat Dec 16 09:34:40 UTC 2023 , Edited by admin on Sat Dec 16 09:34:40 UTC 2023
PRIMARY
FDA UNII
LG7L4NU85R
Created by admin on Sat Dec 16 09:34:40 UTC 2023 , Edited by admin on Sat Dec 16 09:34:40 UTC 2023
PRIMARY
EPA CompTox
DTXSID10991798
Created by admin on Sat Dec 16 09:34:40 UTC 2023 , Edited by admin on Sat Dec 16 09:34:40 UTC 2023
PRIMARY
Related Record Type Details
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ANHYDROUS->SOLVATE