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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H22F2N8O10P2S2.2C6H15N
Molecular Weight 912.901
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Dazostinag triethylamine

SMILES

CCN(CC)CC.CCN(CC)CC.NC1=NC=NC2=C1N=CN2[C@@H]3O[C@@H]4CO[P@](S)(=O)O[C@@H]5[C@H](O)[C@@H](CO[P@](S)(=O)O[C@H]4[C@H]3F)O[C@H]5N6C=C(F)C7=C6NC=NC7=O

InChI

InChIKey=GXTDCYGWBXBJRI-NZHCJSRUSA-N
InChI=1S/C21H22F2N8O10P2S2.2C6H15N/c22-7-1-30(17-10(7)19(33)28-5-26-17)21-15-13(32)8(38-21)2-36-42(34,44)40-14-9(3-37-43(35,45)41-15)39-20(11(14)23)31-6-29-12-16(24)25-4-27-18(12)31;2*1-4-7(5-2)6-3/h1,4-6,8-9,11,13-15,20-21,32H,2-3H2,(H,34,44)(H,35,45)(H2,24,25,27)(H,26,28,33);2*4-6H2,1-3H3/t8-,9-,11-,13-,14-,15-,20-,21-,42-,43-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula C6H15N
Molecular Weight 101.19
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C21H22F2N8O10P2S2
Molecular Weight 710.521
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 06:40:44 GMT 2025
Edited
by admin
on Wed Apr 02 06:40:44 GMT 2025
Record UNII
18MS2Q661S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Dazostinag bis(triethylammonium)
Preferred Name English
Dazostinag triethylamine
Common Name English
7-Deazainosine, 2?-deoxy-2?-fluoro-5?-O-(hydroxymercaptophosphinyl)-P-thioadenylyl-(3??5?)-7-fluoro-, cyclic (2??5?)-nucleotide, compd. with N,N-diethylethanamine (1:2)
Systematic Name English
TAK-676 triethylamine
Code English
Code System Code Type Description
FDA UNII
18MS2Q661S
Created by admin on Wed Apr 02 06:40:44 GMT 2025 , Edited by admin on Wed Apr 02 06:40:44 GMT 2025
PRIMARY
CAS
2228892-60-0
Created by admin on Wed Apr 02 06:40:44 GMT 2025 , Edited by admin on Wed Apr 02 06:40:44 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
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PARENT -> SALT/SOLVATE
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ACTIVE MOIETY