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Details

Stereochemistry ACHIRAL
Molecular Formula C9H7Cl2N5.C4H4O4
Molecular Weight 372.164
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of IRSOGLADINE MALEATE

SMILES

OC(=O)\C=C/C(O)=O.NC1=NC(=NC(N)=N1)C2=CC(Cl)=CC=C2Cl

InChI

InChIKey=PJLVTVAIERNDEQ-BTJKTKAUSA-N
InChI=1S/C9H7Cl2N5.C4H4O4/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7;5-3(6)1-2-4(7)8/h1-3H,(H4,12,13,14,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1-

HIDE SMILES / InChI

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
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 C9H7Cl2N5
Molecular Weight 256.091
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
66GVU60EPQ
Record Status Validated (UNII)
Record Version