U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H31N7O.C4H6O6
Molecular Weight 547.604
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FADRACICLIB TARTRATE

SMILES

O[C@H]([C@@H](O)C(O)=O)C(O)=O.CC[C@H](NC1=NC2=C(N=CN2C(C)C)C(NCC3=CN=C(C)C=C3C)=N1)[C@@H](C)O

InChI

InChIKey=WESMSPXMIVOLQU-JLJSJTGXSA-N
InChI=1S/C21H31N7O.C4H6O6/c1-7-17(15(6)29)25-21-26-19(18-20(27-21)28(11-24-18)12(2)3)23-10-16-9-22-14(5)8-13(16)4;5-1(3(7)8)2(6)4(9)10/h8-9,11-12,15,17,29H,7,10H2,1-6H3,(H2,23,25,26,27);1-2,5-6H,(H,7,8)(H,9,10)/t15-,17+;1-,2-/m11/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CYC-065 TARTRATE
Preferred Name English
FADRACICLIB TARTRATE
Common Name English
2-PENTANOL, 3-((6-(((4,6-DIMETHYL-3-PYRIDINYL)METHYL)AMINO)-9-(1-METHYLETHYL)-9H-PURIN-2-YL)AMINO)-, (2R,3S)-, (2R,3R)-2,3-DIHYDROXYBUTANEDIOATE (1:1)
Systematic Name English
CYC065 L-TARTRATE
Common Name English
Code System Code Type Description
PUBCHEM
53302368
Created by admin on Sat Dec 16 09:41:23 UTC 2023 , Edited by admin on Sat Dec 16 09:41:23 UTC 2023
PRIMARY
SMS_ID
300000022091
Created by admin on Sat Dec 16 09:41:23 UTC 2023 , Edited by admin on Sat Dec 16 09:41:23 UTC 2023
PRIMARY
CAS
1315571-33-5
Created by admin on Sat Dec 16 09:41:23 UTC 2023 , Edited by admin on Sat Dec 16 09:41:23 UTC 2023
PRIMARY
FDA UNII
7X248KO684
Created by admin on Sat Dec 16 09:41:23 UTC 2023 , Edited by admin on Sat Dec 16 09:41:23 UTC 2023
PRIMARY