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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H12N4O6S
Molecular Weight 316.29
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISATORIBINE ANHYDROUS

SMILES

NC1=NC2=C(SC(=O)N2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C(=O)N1

InChI

InChIKey=TZYVRXZQAWPIAB-FCLHUMLKSA-N
InChI=1S/C10H12N4O6S/c11-9-12-6-5(7(18)13-9)21-10(19)14(6)8-4(17)3(16)2(1-15)20-8/h2-4,8,15-17H,1H2,(H3,11,12,13,18)/t2-,3-,4-,8-/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H12N4O6S
Molecular Weight 316.29
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 Fri Dec 15 16:55:52 UTC 2023
Edited
by admin
on Fri Dec 15 16:55:52 UTC 2023
Record UNII
2DNT962H92
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISATORIBINE ANHYDROUS
Common Name English
5-AMINO-3-.BETA.-D-RIBOFURANOSYLTHIAZOLO(4,5-D)PYRIMIDINE-2,7(3H,6H)-DIONE
Common Name English
isatoribine [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C308
Created by admin on Fri Dec 15 16:55:52 UTC 2023 , Edited by admin on Fri Dec 15 16:55:52 UTC 2023
Code System Code Type Description
INN
7843
Created by admin on Fri Dec 15 16:55:52 UTC 2023 , Edited by admin on Fri Dec 15 16:55:52 UTC 2023
PRIMARY
PUBCHEM
135409474
Created by admin on Fri Dec 15 16:55:52 UTC 2023 , Edited by admin on Fri Dec 15 16:55:52 UTC 2023
PRIMARY
NCI_THESAURUS
C90812
Created by admin on Fri Dec 15 16:55:52 UTC 2023 , Edited by admin on Fri Dec 15 16:55:52 UTC 2023
PRIMARY
CAS
122970-40-5
Created by admin on Fri Dec 15 16:55:52 UTC 2023 , Edited by admin on Fri Dec 15 16:55:52 UTC 2023
PRIMARY
FDA UNII
2DNT962H92
Created by admin on Fri Dec 15 16:55:52 UTC 2023 , Edited by admin on Fri Dec 15 16:55:52 UTC 2023
PRIMARY
EPA CompTox
DTXSID20924330
Created by admin on Fri Dec 15 16:55:52 UTC 2023 , Edited by admin on Fri Dec 15 16:55:52 UTC 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
SALT/SOLVATE -> PARENT
Related Record Type Details
PRODRUG -> METABOLITE ACTIVE
Related Record Type Details
ACTIVE MOIETY