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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H11O6.Cl
Molecular Weight 322.697
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROBINETINIDIN CHLORIDE

SMILES

[Cl-].OC1=CC=C2C=C(O)C(=[O+]C2=C1)C3=CC(O)=C(O)C(O)=C3

InChI

InChIKey=SSFSVCKWRJIXDS-UHFFFAOYSA-N
InChI=1S/C15H10O6.ClH/c16-9-2-1-7-3-12(19)15(21-13(7)6-9)8-4-10(17)14(20)11(18)5-8;/h1-6H,(H4-,16,17,18,19,20);1H

HIDE SMILES / InChI

Molecular Formula C15H10O6
Molecular Weight 286.2363
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
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
DW6W3V57N8
Record Status Validated (UNII)
Record Version