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

Details

Stereochemistry ACHIRAL
Molecular Formula 2C6H5O.Ca
Molecular Weight 226.285
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM PHENOXIDE

SMILES

[Ca++].[O-]C1=CC=CC=C1.[O-]C2=CC=CC=C2

InChI

InChIKey=ZMRQTIAUOLVKOX-UHFFFAOYSA-L
InChI=1S/2C6H6O.Ca/c2*7-6-4-2-1-3-5-6;/h2*1-5,7H;/q;;+2/p-2

HIDE SMILES / InChI
Molecular Formula C6H5O
Molecular Weight 93.1033
Charge -1
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

2021
460
Patents

Patents

04070331
26
JP2000319682A
1
JP2001303087A
1
JP2002053889A
1
JP2004323672A
1
JP2006283830A
1
JP2006328265A
1
JP2007138166A
1
JP2007508312A
4
JP2009127029A
1
JP2009203374A
1
JP2010121063A
1
JP2013256662A
1
JP5294614B2
1
JPH02110194A
1
JPH05239485A
1
JPH05279686A
1
JPH05295382A
1
JPH06192661A
1
JPH06240275A
1
JPH07197067A
1
JPH07216373A
1
JPH08283764A
1
JPH09100487A
1
JPH09125084A
1
JPH09165591A
1
JPH09194871A
1
JPH09235436A
1
JPH09272890A
1
JPH1053784A
1
JPH11116982A
1
JPH11293272A
1
JPS06315895A
1
JPS54103404A
1
JPS57111395A
1
JPS606790A
1
JPS61282336A
1
JPS6315895A
1
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:02:56 GMT 2025
Edited
by admin
on Mon Mar 31 19:02:56 GMT 2025
Record UNII
DRU8G42RVE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM CARBOLATE
Preferred Name English
CALCIUM PHENOXIDE
MI  
Systematic Name English
CALCIUM PHENOLATE
Systematic Name English
CALCIUM PHENATE
Common Name English
CALCIUM PHENOXIDE [MI]
Common Name English
CALCIUM DIPHENOXIDE
Systematic Name English
CALCIUM PHENYLATE
Common Name English
PHENOL CALCIUM SALT (2:1)
Common Name English
Code System Code Type Description
DAILYMED
DRU8G42RVE
Created by admin on Mon Mar 31 19:02:56 GMT 2025 , Edited by admin on Mon Mar 31 19:02:56 GMT 2025
PRIMARY
RXCUI
2585538
Created by admin on Mon Mar 31 19:02:56 GMT 2025 , Edited by admin on Mon Mar 31 19:02:56 GMT 2025
PRIMARY
MERCK INDEX
m2963
Created by admin on Mon Mar 31 19:02:56 GMT 2025 , Edited by admin on Mon Mar 31 19:02:56 GMT 2025
PRIMARY Merck Index
CAS
5793-84-0
Created by admin on Mon Mar 31 19:02:56 GMT 2025 , Edited by admin on Mon Mar 31 19:02:56 GMT 2025
PRIMARY
FDA UNII
DRU8G42RVE
Created by admin on Mon Mar 31 19:02:56 GMT 2025 , Edited by admin on Mon Mar 31 19:02:56 GMT 2025
PRIMARY
PUBCHEM
6453548
Created by admin on Mon Mar 31 19:02:56 GMT 2025 , Edited by admin on Mon Mar 31 19:02:56 GMT 2025
PRIMARY
EPA CompTox
DTXSID10206632
Created by admin on Mon Mar 31 19:02:56 GMT 2025 , Edited by admin on Mon Mar 31 19:02:56 GMT 2025
PRIMARY
ECHA (EC/EINECS)
227-331-5
Created by admin on Mon Mar 31 19:02:56 GMT 2025 , Edited by admin on Mon Mar 31 19:02:56 GMT 2025
PRIMARY
Related Record Type Details
Structure of Phenol
PARENT -> SALT/SOLVATE
NIH
NCATS
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