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

Details

Stereochemistry UNKNOWN
Molecular Formula C11H13ClN2O2.ClH
Molecular Weight 277.147
Optical Activity UNSPECIFIED
Additional Stereochemistry Yes
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AZD-1446

SMILES

Cl.ClC1=CC=C(O1)C(=O)N2C[C@@H]3CNC[C@@H]3C2

InChI

InChIKey=SQQDKOJWFGSPEW-KVZVIFLMSA-N
InChI=1S/C11H13ClN2O2.ClH/c12-10-2-1-9(16-10)11(15)14-5-7-3-13-4-8(7)6-14;/h1-2,7-8,13H,3-6H2;1H/t7-,8+;

HIDE SMILES / InChI

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

Molecular Formula C11H13ClN2O2
Molecular Weight 240.686
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
ANR9OP1V17
Record Status Validated (UNII)
Record Version