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

Details

Stereochemistry ACHIRAL
Molecular Formula 2C6H12N4.Ca.2Cl
Molecular Weight 391.357
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methenamine calcium chloride

SMILES

[Cl-].[Cl-].[Ca++].C1N2CN3CN1CN(C2)C3.C4N5CN6CN4CN(C5)C6

InChI

InChIKey=LWNXEJUXBCHGMN-UHFFFAOYSA-L
InChI=1S/2C6H12N4.Ca.2ClH/c2*1-7-2-9-4-8(1)5-10(3-7)6-9;;;/h2*1-6H2;;2*1H/q;;+2;;/p-2

HIDE SMILES / InChI

Molecular Formula Cl
Molecular Weight 35.453
Charge -1
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

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

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 13:50:29 GMT 2025
Edited
by admin
on Wed Apr 02 13:50:29 GMT 2025
Record UNII
PJ3JZM3C2W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methenamine calcium chloride
Common Name English
Calcex
Preferred Name English
Methenamine calcium chloride [WHO-DD]
Common Name English
1,3,5,7-Tetraazatricyclo[3.3.1.13,7]decane, compd. with calcium chloride (CaCl2) (2:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70942403
Created by admin on Wed Apr 02 13:50:29 GMT 2025 , Edited by admin on Wed Apr 02 13:50:29 GMT 2025
PRIMARY
CAS
20280-08-4
Created by admin on Wed Apr 02 13:50:29 GMT 2025 , Edited by admin on Wed Apr 02 13:50:29 GMT 2025
PRIMARY
PUBCHEM
167893
Created by admin on Wed Apr 02 13:50:29 GMT 2025 , Edited by admin on Wed Apr 02 13:50:29 GMT 2025
PRIMARY
FDA UNII
PJ3JZM3C2W
Created by admin on Wed Apr 02 13:50:29 GMT 2025 , Edited by admin on Wed Apr 02 13:50:29 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE