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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H20F2N8O10P2S2.2Na
Molecular Weight 754.485
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Dazostinag disodium

SMILES

[Na+].[Na+].[H][C@@]12CO[P@]([S-])(=O)O[C@@]3([H])[C@@H](F)[C@@H](O[C@]3([H])CO[P@]([S-])(=O)O[C@]([H])([C@@H]1O)[C@@H](O2)N4C=C(F)C5=C4NC=NC5=O)N6C=NC7=C(N)N=CN=C67

InChI

InChIKey=DSMDURFDSXGNPW-NZHCJSRUSA-L
InChI=1S/C21H22F2N8O10P2S2.2Na/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;;/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);;/q;2*+1/p-2/t8-,9-,11-,13-,14-,15-,20-,21-,42-,43-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C21H20F2N8O10P2S2
Molecular Weight 708.505
Charge -2
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 Sat Dec 16 15:30:49 GMT 2023
Edited
by admin
on Sat Dec 16 15:30:49 GMT 2023
Record UNII
GQ7GWR7ISX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Dazostinag disodium
Common Name English
TAK676
Code English
Code System Code Type Description
NCI_THESAURUS
C173377
Created by admin on Sat Dec 16 15:30:49 GMT 2023 , Edited by admin on Sat Dec 16 15:30:49 GMT 2023
PRIMARY
FDA UNII
GQ7GWR7ISX
Created by admin on Sat Dec 16 15:30:49 GMT 2023 , Edited by admin on Sat Dec 16 15:30:49 GMT 2023
PRIMARY
CAS
2553413-93-5
Created by admin on Sat Dec 16 15:30:49 GMT 2023 , Edited by admin on Sat Dec 16 15:30:49 GMT 2023
PRIMARY
CAS
2228892-61-1
Created by admin on Sat Dec 16 15:30:49 GMT 2023 , Edited by admin on Sat Dec 16 15:30:49 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
Related Record Type Details
ACTIVE MOIETY