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

Details

Stereochemistry ACHIRAL
Molecular Formula C5H10NOS2.Na.H2O
Molecular Weight 205.274
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DITIOCADE SODIUM

SMILES

O.[Na+].CCON(CC)C([S-])=S

InChI

InChIKey=BXJOCPGRLPDJAP-UHFFFAOYSA-M
InChI=1S/C5H11NOS2.Na.H2O/c1-3-6(5(8)9)7-4-2;;/h3-4H2,1-2H3,(H,8,9);;1H2/q;+1;/p-1

HIDE SMILES / InChI

Molecular Formula C5H11NOS2
Molecular Weight 165.277
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula HO
Molecular Weight 17.0073
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:42:02 GMT 2023
Edited
by admin
on Fri Dec 15 15:42:02 GMT 2023
Record UNII
VIC0E207S4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DITIOCADE SODIUM
USAN  
USAN  
Official Name English
Sodium ethoxyethylcarbamodithioate monohydrate
Systematic Name English
NOET
Code English
CARBAMODITHIOIC ACID, ETHOXYETHYL-, SODIUM SALT, MONOHYDRATE
Common Name English
DITIOCADE SODIUM [USAN]
Common Name English
CISNOET
Brand Name English
Code System Code Type Description
PUBCHEM
23695843
Created by admin on Fri Dec 15 15:42:02 GMT 2023 , Edited by admin on Fri Dec 15 15:42:02 GMT 2023
PRIMARY
NCI_THESAURUS
C76751
Created by admin on Fri Dec 15 15:42:02 GMT 2023 , Edited by admin on Fri Dec 15 15:42:02 GMT 2023
PRIMARY
USAN
NN-81
Created by admin on Fri Dec 15 15:42:02 GMT 2023 , Edited by admin on Fri Dec 15 15:42:02 GMT 2023
PRIMARY
NCI_THESAURUS
C45678
Created by admin on Fri Dec 15 15:42:02 GMT 2023 , Edited by admin on Fri Dec 15 15:42:02 GMT 2023
CONCEPT Industrial Aid
ChEMBL
CHEMBL2110723
Created by admin on Fri Dec 15 15:42:02 GMT 2023 , Edited by admin on Fri Dec 15 15:42:02 GMT 2023
PRIMARY
CAS
444190-52-7
Created by admin on Fri Dec 15 15:42:02 GMT 2023 , Edited by admin on Fri Dec 15 15:42:02 GMT 2023
PRIMARY
SMS_ID
300000044632
Created by admin on Fri Dec 15 15:42:02 GMT 2023 , Edited by admin on Fri Dec 15 15:42:02 GMT 2023
PRIMARY
EPA CompTox
DTXSID70196166
Created by admin on Fri Dec 15 15:42:02 GMT 2023 , Edited by admin on Fri Dec 15 15:42:02 GMT 2023
PRIMARY
FDA UNII
VIC0E207S4
Created by admin on Fri Dec 15 15:42:02 GMT 2023 , Edited by admin on Fri Dec 15 15:42:02 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
ANHYDROUS->SOLVATE
Related Record Type Details
ACTIVE MOIETY