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Details

Stereochemistry ACHIRAL
Molecular Formula 2C15H11N2O2.Ca
Molecular Weight 542.5992
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENYTOIN CALCIUM

SMILES

c1ccc(cc1)C2(c3ccccc3)C(=NC(=N2)O)O.c1ccc(cc1)C2(c3ccccc3)C(=NC(=N2)[O-])[O-].[Ca+2]

InChI

InChIKey=FSUPITWRVZUOTB-UHFFFAOYSA-L
InChI=1S/2C15H12N2O2.Ca/c2*18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h2*1-10H,(H2,16,17,18,19);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C15H12N2O2
Molecular Weight 252.2685
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 Jun 26 13:14:15 UTC 2021
Edited
by admin
on Sat Jun 26 13:14:15 UTC 2021
Record UNII
9C9H20H712
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHENYTOIN CALCIUM
WHO-DD  
Common Name English
PHENYTOIN CALCIUM [WHO-DD]
Common Name English
Code System Code Type Description
CAS
17199-74-5
Created by admin on Sat Jun 26 13:14:15 UTC 2021 , Edited by admin on Sat Jun 26 13:14:15 UTC 2021
PRIMARY
EPA CompTox
17199-74-5
Created by admin on Sat Jun 26 13:14:15 UTC 2021 , Edited by admin on Sat Jun 26 13:14:15 UTC 2021
PRIMARY
PUBCHEM
135566068
Created by admin on Sat Jun 26 13:14:15 UTC 2021 , Edited by admin on Sat Jun 26 13:14:15 UTC 2021
PRIMARY
FDA UNII
9C9H20H712
Created by admin on Sat Jun 26 13:14:15 UTC 2021 , Edited by admin on Sat Jun 26 13:14:15 UTC 2021
PRIMARY
ECHA (EC/EINECS)
241-241-3
Created by admin on Sat Jun 26 13:14:15 UTC 2021 , Edited by admin on Sat Jun 26 13:14:15 UTC 2021
PRIMARY
EVMPD
SUB14844MIG
Created by admin on Sat Jun 26 13:14:15 UTC 2021 , Edited by admin on Sat Jun 26 13:14:15 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE