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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H15N7.C4H7NO3
Molecular Weight 398.4191
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DIMINAZENE MONOACETURATE

SMILES

CC(=O)NCC(O)=O.NC(=N)C1=CC=C(N\N=N\C2=CC=C(C=C2)C(N)=N)C=C1

InChI

InChIKey=XJLITJHUQRBWPN-UHFFFAOYSA-N
InChI=1S/C14H15N7.C4H7NO3/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18;1-3(6)5-2-4(7)8/h1-8H,(H3,15,16)(H3,17,18)(H,19,20);2H2,1H3,(H,5,6)(H,7,8)

HIDE SMILES / InChI

Molecular Formula C14H15N7
Molecular Weight 281.3158
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula C4H7NO3
Molecular Weight 117.1033
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:17:47 UTC 2023
Edited
by admin
on Sat Dec 16 14:17:47 UTC 2023
Record UNII
M011GS5PF5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIMINAZENE MONOACETURATE
Common Name English
GLYCINE, N-ACETYL-, COMPD. WITH 4,4'-(1-TRIAZENE-1,3-DIYL)BIS(BENZENECARBOXIMIDAMIDE) (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
M011GS5PF5
Created by admin on Sat Dec 16 14:17:48 UTC 2023 , Edited by admin on Sat Dec 16 14:17:48 UTC 2023
PRIMARY
CAS
15114-96-2
Created by admin on Sat Dec 16 14:17:48 UTC 2023 , Edited by admin on Sat Dec 16 14:17:48 UTC 2023
PRIMARY
PUBCHEM
65060
Created by admin on Sat Dec 16 14:17:48 UTC 2023 , Edited by admin on Sat Dec 16 14:17:48 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE