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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H12N2O2
Molecular Weight 156.1824
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of HEPTOXIME

SMILES

ON=C1CCCCCC1=NO

InChI

InChIKey=LJIRXNPXTVQOEU-CDJQDVQCSA-N
InChI=1S/C7H12N2O2/c10-8-6-4-2-1-3-5-7(6)9-11/h10-11H,1-5H2/b8-6+,9-7+

HIDE SMILES / InChI

Molecular Formula C7H12N2O2
Molecular Weight 156.1824
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 03:31:07 GMT 2023
Edited
by admin
on Sat Dec 16 03:31:07 GMT 2023
Record UNII
5XU9969I2D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEPTOXIME
MI  
Common Name English
HEPTOXIME [MI]
Common Name English
1,2-CYCLOHEPTANEDIONE, DIOXIME
Systematic Name English
1,2-CYCLOHEPTANEDIONE, 1,2-DIOXIME
Systematic Name English
NSC-58393
Code English
1,2-CYCLOHEPTANEDIONE 1,2-DIOXIME
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
208-499-9
Created by admin on Sat Dec 16 03:31:07 GMT 2023 , Edited by admin on Sat Dec 16 03:31:07 GMT 2023
PRIMARY
FDA UNII
5XU9969I2D
Created by admin on Sat Dec 16 03:31:07 GMT 2023 , Edited by admin on Sat Dec 16 03:31:07 GMT 2023
PRIMARY
PUBCHEM
135487944
Created by admin on Sat Dec 16 03:31:07 GMT 2023 , Edited by admin on Sat Dec 16 03:31:07 GMT 2023
PRIMARY
MERCK INDEX
m5970
Created by admin on Sat Dec 16 03:31:07 GMT 2023 , Edited by admin on Sat Dec 16 03:31:07 GMT 2023
PRIMARY Merck Index
EPA CompTox
DTXSID5060194
Created by admin on Sat Dec 16 03:31:07 GMT 2023 , Edited by admin on Sat Dec 16 03:31:07 GMT 2023
PRIMARY
CAS
530-97-2
Created by admin on Sat Dec 16 03:31:07 GMT 2023 , Edited by admin on Sat Dec 16 03:31:07 GMT 2023
PRIMARY
NSC
58393
Created by admin on Sat Dec 16 03:31:07 GMT 2023 , Edited by admin on Sat Dec 16 03:31:07 GMT 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS