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Details

Stereochemistry ACHIRAL
Molecular Formula 2C6H8O7.3C4H10N2.12H2O
Molecular Weight 858.8372
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PIPERAZINE CITRATE DODECAHYDRATE

SMILES

O.O.O.O.O.O.O.O.O.O.O.O.C1CNCCN1.C2CNCCN2.C3CNCCN3.OC(=O)CC(O)(CC(O)=O)C(O)=O.OC(=O)CC(O)(CC(O)=O)C(O)=O

InChI

InChIKey=ZGLMQWZTYADFME-UHFFFAOYSA-N
InChI=1S/2C6H8O7.3C4H10N2.12H2O/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;3*1-2-6-4-3-5-1;;;;;;;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*5-6H,1-4H2;12*1H2

HIDE SMILES / InChI

Molecular Formula C4H10N2
Molecular Weight 86.1356
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

Molecular Formula H2O
Molecular Weight 18.0153
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 13:01:34 GMT 2023
Edited
by admin
on Sat Dec 16 13:01:34 GMT 2023
Record UNII
X8TF8S67TJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PIPERAZINE CITRATE DODECAHYDRATE
Systematic Name English
PIPERAZINE, CITRATE (3:2), DODECAHYDRATE
Systematic Name English
Code System Code Type Description
CAS
7487-45-8
Created by admin on Sat Dec 16 13:01:35 GMT 2023 , Edited by admin on Sat Dec 16 13:01:35 GMT 2023
PRIMARY
FDA UNII
X8TF8S67TJ
Created by admin on Sat Dec 16 13:01:35 GMT 2023 , Edited by admin on Sat Dec 16 13:01:35 GMT 2023
PRIMARY
PUBCHEM
131801041
Created by admin on Sat Dec 16 13:01:35 GMT 2023 , Edited by admin on Sat Dec 16 13:01:35 GMT 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE