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Details

Stereochemistry ACHIRAL
Molecular Formula C16H14ClN3O.C4H4O4
Molecular Weight 415.827
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CHLORDIAZEPOXIDE MALEATE

SMILES

OC(=O)\C=C/C(O)=O.CNC1=NC2=CC=C(Cl)C=C2C(C3=CC=CC=C3)=[N+]([O-])C1

InChI

InChIKey=KTUFOVCQNKFNID-BTJKTKAUSA-N
InChI=1S/C16H14ClN3O.C4H4O4/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15;5-3(6)1-2-4(7)8/h2-9H,10H2,1H3,(H,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1-

HIDE SMILES / InChI

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C16H14ClN3O
Molecular Weight 299.755
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Oct 22 18:16:25 UTC 2019
Edited
by admin
on Tue Oct 22 18:16:25 UTC 2019
Record UNII
YR3Y673BZG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHLORDIAZEPOXIDE MALEATE
Common Name English
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE