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Details

Stereochemistry ACHIRAL
Molecular Formula 2C15H11N2O2.Ca
Molecular Weight 542.598
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENYTOIN CALCIUM

SMILES

[Ca++].O=C1NC(C(=O)[N-]1)(C2=CC=CC=C2)C3=CC=CC=C3.O=C4NC(C(=O)[N-]4)(C5=CC=CC=C5)C6=CC=CC=C6

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 C15H12N2O2
Molecular Weight 252.268
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:17:40 GMT 2023
Edited
by admin
on Fri Dec 15 18:17:40 GMT 2023
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 Fri Dec 15 18:17:41 GMT 2023 , Edited by admin on Fri Dec 15 18:17:41 GMT 2023
PRIMARY
PUBCHEM
135566068
Created by admin on Fri Dec 15 18:17:41 GMT 2023 , Edited by admin on Fri Dec 15 18:17:41 GMT 2023
PRIMARY
SMS_ID
100000079435
Created by admin on Fri Dec 15 18:17:41 GMT 2023 , Edited by admin on Fri Dec 15 18:17:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID80169200
Created by admin on Fri Dec 15 18:17:41 GMT 2023 , Edited by admin on Fri Dec 15 18:17:41 GMT 2023
PRIMARY
FDA UNII
9C9H20H712
Created by admin on Fri Dec 15 18:17:41 GMT 2023 , Edited by admin on Fri Dec 15 18:17:41 GMT 2023
PRIMARY
ECHA (EC/EINECS)
241-241-3
Created by admin on Fri Dec 15 18:17:41 GMT 2023 , Edited by admin on Fri Dec 15 18:17:41 GMT 2023
PRIMARY
EVMPD
SUB14844MIG
Created by admin on Fri Dec 15 18:17:41 GMT 2023 , Edited by admin on Fri Dec 15 18:17:41 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE