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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H11Cl2N3O2
Molecular Weight 288.13
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANAGRELIDE OPEN RING METHYL ESTER

SMILES

COC(=O)CN1CC2=C(Cl)C(Cl)=CC=C2N=C1N

InChI

InChIKey=GPQHPFJCLXKFHS-UHFFFAOYSA-N
InChI=1S/C11H11Cl2N3O2/c1-18-9(17)5-16-4-6-8(15-11(16)14)3-2-7(12)10(6)13/h2-3H,4-5H2,1H3,(H2,14,15)

HIDE SMILES / InChI

Molecular Formula C11H11Cl2N3O2
Molecular Weight 288.13
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
H97N36S43S
Record Status Validated (UNII)
Record Version