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

Details

Stereochemistry ACHIRAL
Molecular Formula C4H7N3O.H2O4S
Molecular Weight 211.196
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CREATININE SULFATE

SMILES

OS(O)(=O)=O.CN1CC(=O)N=C1N

InChI

InChIKey=MEVXSUZBFYZPHZ-UHFFFAOYSA-N
InChI=1S/C4H7N3O.H2O4S/c1-7-2-3(8)6-4(7)5;1-5(2,3)4/h2H2,1H3,(H2,5,6,8);(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula C4H7N3O
Molecular Weight 113.1179
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O4S
Molecular Weight 98.078
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 01:37:26 UTC 2023
Edited
by admin
on Sat Dec 16 01:37:26 UTC 2023
Record UNII
6LPJ42D59W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CREATININE SULFATE
WHO-DD  
Common Name English
CREATININE, SULFATE (1:1)
Common Name English
4H-IMIDAZOL-4-ONE, 2-AMINO-1,5-DIHYDRO-1-METHYL-, SULFATE (1:1)
Systematic Name English
Creatinine sulfate [WHO-DD]
Common Name English
Code System Code Type Description
FDA UNII
6LPJ42D59W
Created by admin on Sat Dec 16 01:37:26 UTC 2023 , Edited by admin on Sat Dec 16 01:37:26 UTC 2023
PRIMARY
DRUG BANK
DBSALT002094
Created by admin on Sat Dec 16 01:37:26 UTC 2023 , Edited by admin on Sat Dec 16 01:37:26 UTC 2023
PRIMARY
CAS
31377-28-3
Created by admin on Sat Dec 16 01:37:26 UTC 2023 , Edited by admin on Sat Dec 16 01:37:26 UTC 2023
PRIMARY
EVMPD
SUB13487MIG
Created by admin on Sat Dec 16 01:37:26 UTC 2023 , Edited by admin on Sat Dec 16 01:37:26 UTC 2023
PRIMARY
PUBCHEM
93150
Created by admin on Sat Dec 16 01:37:26 UTC 2023 , Edited by admin on Sat Dec 16 01:37:26 UTC 2023
PRIMARY
EPA CompTox
DTXSID60185302
Created by admin on Sat Dec 16 01:37:26 UTC 2023 , Edited by admin on Sat Dec 16 01:37:26 UTC 2023
PRIMARY
SMS_ID
100000079837
Created by admin on Sat Dec 16 01:37:26 UTC 2023 , Edited by admin on Sat Dec 16 01:37:26 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE