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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H19N5.H2O
Molecular Weight 263.3387
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of PINACIDIL, (S)-

SMILES

O.C[C@H](NC(NC1=CC=NC=C1)=NC#N)C(C)(C)C

InChI

InChIKey=AFJCNBBHEVLGCZ-PPHPATTJSA-N
InChI=1S/C13H19N5.H2O/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11;/h5-8,10H,1-4H3,(H2,15,16,17,18);1H2/t10-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C13H19N5
Molecular Weight 245.3235
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

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 11:48:47 GMT 2023
Edited
by admin
on Sat Dec 16 11:48:47 GMT 2023
Record UNII
O9IQW3PMN2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PINACIDIL, (S)-
Common Name English
GUANIDINE, N-CYANO-N'-4-PYRIDINYL-N''-(1,2,2-TRIMETHYLPROPYL)-, HYDRATE (1:1), (S)-
Common Name English
Code System Code Type Description
PUBCHEM
76964023
Created by admin on Sat Dec 16 11:48:47 GMT 2023 , Edited by admin on Sat Dec 16 11:48:47 GMT 2023
PRIMARY
FDA UNII
O9IQW3PMN2
Created by admin on Sat Dec 16 11:48:47 GMT 2023 , Edited by admin on Sat Dec 16 11:48:47 GMT 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE