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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H12N4.2CNS.Ca
Molecular Weight 296.429
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Calcium methenamine thiocyanate

SMILES

[Ca++].[S-]C#N.[S-]C#N.C1N2CN3CN1CN(C2)C3

InChI

InChIKey=MYCYALXPHWPBMJ-UHFFFAOYSA-L
InChI=1S/C6H12N4.2CHNS.Ca/c1-7-2-9-4-8(1)5-10(3-7)6-9;2*2-1-3;/h1-6H2;2*3H;/q;;;+2/p-2

HIDE SMILES / InChI

Molecular Formula CNS
Molecular Weight 58.082
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H12N4
Molecular Weight 140.1863
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
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 19:18:54 UTC 2023
Edited
by admin
on Sat Dec 16 19:18:54 UTC 2023
Record UNII
RPJ55R4EFX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Calcium methenamine thiocyanate
Common Name English
Calcium methenamine thiocyanate [WHO-DD]
Common Name English
Code System Code Type Description
PUBCHEM
122197551
Created by admin on Sat Dec 16 19:18:55 UTC 2023 , Edited by admin on Sat Dec 16 19:18:55 UTC 2023
PRIMARY
EPA CompTox
DTXSID60586815
Created by admin on Sat Dec 16 19:18:55 UTC 2023 , Edited by admin on Sat Dec 16 19:18:55 UTC 2023
PRIMARY
CAS
859974-17-7
Created by admin on Sat Dec 16 19:18:55 UTC 2023 , Edited by admin on Sat Dec 16 19:18:55 UTC 2023
PRIMARY
FDA UNII
RPJ55R4EFX
Created by admin on Sat Dec 16 19:18:55 UTC 2023 , Edited by admin on Sat Dec 16 19:18:55 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE