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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H16N4O4S2.C6H8O7
Molecular Weight 476.48
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Taurolidine citrate

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1

InChI

InChIKey=RMTOBKFGSODIEJ-UHFFFAOYSA-N
InChI=1S/C7H16N4O4S2.C6H8O7/c12-16(13)3-1-10(5-8-16)7-11-2-4-17(14,15)9-6-11;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-9H,1-7H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

HIDE SMILES / InChI

Molecular Formula C7H16N4O4S2
Molecular Weight 284.356
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H8O7
Molecular Weight 192.1235
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 19:28:51 UTC 2023
Edited
by admin
on Sat Dec 16 19:28:51 UTC 2023
Record UNII
BJH2ZD8YGB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Taurolidine citrate
Common Name English
Taurolidine citrate [WHO-DD]
Common Name English
Code System Code Type Description
FDA UNII
BJH2ZD8YGB
Created by admin on Sat Dec 16 19:28:51 UTC 2023 , Edited by admin on Sat Dec 16 19:28:51 UTC 2023
PRIMARY
PUBCHEM
46700836
Created by admin on Sat Dec 16 19:28:51 UTC 2023 , Edited by admin on Sat Dec 16 19:28:51 UTC 2023
PRIMARY
CAS
1333382-80-1
Created by admin on Sat Dec 16 19:28:51 UTC 2023 , Edited by admin on Sat Dec 16 19:28:51 UTC 2023
NON-SPECIFIC STOICHIOMETRY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE