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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H22N5O15P3
Molecular Weight 641.3131
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of INOSINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), 2'-(2-(METHYLAMINO)BENZOATE)

SMILES

CNC1=C(C=CC=C1)C(=O)O[C@@H]2[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]2N3C=NC4=C3N=CNC4=O

InChI

InChIKey=ZDRVBNLIJDBJCA-LSCFUAHRSA-N
InChI=1S/C18H22N5O15P3/c1-19-10-5-3-2-4-9(10)18(26)36-14-13(24)11(6-34-40(30,31)38-41(32,33)37-39(27,28)29)35-17(14)23-8-22-12-15(23)20-7-21-16(12)25/h2-5,7-8,11,13-14,17,19,24H,6H2,1H3,(H,30,31)(H,32,33)(H,20,21,25)(H2,27,28,29)/t11-,13-,14-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H22N5O15P3
Molecular Weight 641.3131
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 09:36:58 GMT 2023
Edited
by admin
on Sat Dec 16 09:36:58 GMT 2023
Record UNII
1RCD3X0R6E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
INOSINE 5'-(TETRAHYDROGEN TRIPHOSPHATE), 2'-(2-(METHYLAMINO)BENZOATE)
Common Name English
Code System Code Type Description
PUBCHEM
135564778
Created by admin on Sat Dec 16 09:36:58 GMT 2023 , Edited by admin on Sat Dec 16 09:36:58 GMT 2023
PRIMARY
FDA UNII
1RCD3X0R6E
Created by admin on Sat Dec 16 09:36:58 GMT 2023 , Edited by admin on Sat Dec 16 09:36:58 GMT 2023
PRIMARY