Calcium methenamine thiocyanate

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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

Structure Search

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	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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 15:02:03 GMT 2025` Edited by `admin` on `Wed Apr 02 15:02:03 GMT 2025`
Record UNII	RPJ55R4EFX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Calcium methenamine thiocyanate

Common Name

English

Calcium methenamine thiocyanate [WHO-DD]

Preferred Name

English

Code System Code Type Description

PUBCHEM

122197551

Created by admin on Wed Apr 02 15:02:03 GMT 2025 , Edited by admin on Wed Apr 02 15:02:03 GMT 2025

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EPA CompTox

DTXSID60586815

Created by admin on Wed Apr 02 15:02:03 GMT 2025 , Edited by admin on Wed Apr 02 15:02:03 GMT 2025

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CAS

859974-17-7

Created by admin on Wed Apr 02 15:02:03 GMT 2025 , Edited by admin on Wed Apr 02 15:02:03 GMT 2025

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FDA UNII

RPJ55R4EFX

Created by admin on Wed Apr 02 15:02:03 GMT 2025 , Edited by admin on Wed Apr 02 15:02:03 GMT 2025

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SMS_ID

100000076590

Created by admin on Wed Apr 02 15:02:03 GMT 2025 , Edited by admin on Wed Apr 02 15:02:03 GMT 2025

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