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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 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 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 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 Sat Dec 16 19:09:55 GMT 2023
Edited
by admin
on Sat Dec 16 19:09:55 GMT 2023
Record UNII
PJ3JZM3C2W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methenamine calcium chloride
Common 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
Calcex
Brand Name English
Code System Code Type Description
EPA CompTox
DTXSID70942403
Created by admin on Sat Dec 16 19:09:55 GMT 2023 , Edited by admin on Sat Dec 16 19:09:55 GMT 2023
PRIMARY
CAS
20280-08-4
Created by admin on Sat Dec 16 19:09:55 GMT 2023 , Edited by admin on Sat Dec 16 19:09:55 GMT 2023
PRIMARY
PUBCHEM
167893
Created by admin on Sat Dec 16 19:09:55 GMT 2023 , Edited by admin on Sat Dec 16 19:09:55 GMT 2023
PRIMARY
FDA UNII
PJ3JZM3C2W
Created by admin on Sat Dec 16 19:09:55 GMT 2023 , Edited by admin on Sat Dec 16 19:09:55 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE