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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H21N5O4.C4H6O6
Molecular Weight 497.4559
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GP-531 TARTRATE

SMILES

O[C@H]([C@@H](O)C(O)=O)C(O)=O.NC(=O)C1=C(N)N(C=N1)[C@@H]2O[C@H](CNCC3=CC=CC=C3)[C@@H](O)[C@H]2O

InChI

InChIKey=VKQWMBKJUARLCQ-REMRMEERSA-N
InChI=1S/C16H21N5O4.C4H6O6/c17-14-11(15(18)24)20-8-21(14)16-13(23)12(22)10(25-16)7-19-6-9-4-2-1-3-5-9;5-1(3(7)8)2(6)4(9)10/h1-5,8,10,12-13,16,19,22-23H,6-7,17H2,(H2,18,24);1-2,5-6H,(H,7,8)(H,9,10)/t10-,12-,13-,16-;1-,2-/m11/s1

HIDE SMILES / InChI

Molecular Formula C4H6O6
Molecular Weight 150.0868
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C16H21N5O4
Molecular Weight 347.369
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 15:39:18 UTC 2023
Edited
by admin
on Fri Dec 15 15:39:18 UTC 2023
Record UNII
3M6N6O3AH6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GP-531 TARTRATE
Code English
1H-IMIDAZOLE-4-CARBOXAMIDE, 5-AMINO-1-(5-DEOXY-5-((PHENYLMETHYL)AMINO)-.BETA.-D-RIBOFURANOSYL)-, (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE (1:1)
Systematic Name English
Code System Code Type Description
CAS
911205-04-4
Created by admin on Fri Dec 15 15:39:18 UTC 2023 , Edited by admin on Fri Dec 15 15:39:18 UTC 2023
PRIMARY
PUBCHEM
131801087
Created by admin on Fri Dec 15 15:39:18 UTC 2023 , Edited by admin on Fri Dec 15 15:39:18 UTC 2023
PRIMARY
FDA UNII
3M6N6O3AH6
Created by admin on Fri Dec 15 15:39:18 UTC 2023 , Edited by admin on Fri Dec 15 15:39:18 UTC 2023
PRIMARY
Related Record Type Details
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