U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C16H10N3O6.K
Molecular Weight 379.3654
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DS-677 POTASSIUM

SMILES

[K+].CN1C=C(C([O-])=O)C(=O)C2=C1N=C(\C=C\C3=CC=C(O3)[N+]([O-])=O)C=C2

InChI

InChIKey=VAMWXWWTUSFKFD-VEELZWTKSA-M
InChI=1S/C16H11N3O6.K/c1-18-8-12(16(21)22)14(20)11-6-3-9(17-15(11)18)2-4-10-5-7-13(25-10)19(23)24;/h2-8H,1H3,(H,21,22);/q;+1/p-1/b4-2+;

HIDE SMILES / InChI

Molecular Formula C16H10N3O6
Molecular Weight 340.2671
Charge -1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula K
Molecular Weight 39.0983
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
E01K04PG19
Record Status Validated (UNII)
Record Version