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

Details

Stereochemistry ACHIRAL
Molecular Formula 2C7H6NO2.Ca
Molecular Weight 312.334
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM AMINOBENZOATE

SMILES

[Ca++].NC1=CC=C(C=C1)C([O-])=O.NC2=CC=C(C=C2)C([O-])=O

InChI

InChIKey=WERDFULIYLPZCO-UHFFFAOYSA-L
InChI=1S/2C7H7NO2.Ca/c2*8-6-3-1-5(2-4-6)7(9)10;/h2*1-4H,8H2,(H,9,10);/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 C7H6NO2
Molecular Weight 136.128
Charge -1
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 18:17:25 UTC 2023
Edited
by admin
on Fri Dec 15 18:17:25 UTC 2023
Record UNII
RQ8H0DRA1L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM AMINOBENZOATE
Systematic Name English
CALCIUM-H
Brand Name English
P-AMINOBENZOIC ACID CALCIUM SALT
Common Name English
4-aminobenzoic acid calcium salt [WHO-DD]
Common Name English
OSFAVIT H1
Brand Name English
4-AMINOBENZOIC ACID CALCIUM SALT
WHO-DD  
Common Name English
BENZOIC ACID, 4-AMINO-, CALCIUM SALT (2:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90208891
Created by admin on Fri Dec 15 18:17:25 UTC 2023 , Edited by admin on Fri Dec 15 18:17:25 UTC 2023
PRIMARY
PUBCHEM
108901
Created by admin on Fri Dec 15 18:17:25 UTC 2023 , Edited by admin on Fri Dec 15 18:17:25 UTC 2023
PRIMARY
CAS
60154-17-8
Created by admin on Fri Dec 15 18:17:25 UTC 2023 , Edited by admin on Fri Dec 15 18:17:25 UTC 2023
PRIMARY
ECHA (EC/EINECS)
262-086-8
Created by admin on Fri Dec 15 18:17:25 UTC 2023 , Edited by admin on Fri Dec 15 18:17:25 UTC 2023
PRIMARY
FDA UNII
RQ8H0DRA1L
Created by admin on Fri Dec 15 18:17:25 UTC 2023 , Edited by admin on Fri Dec 15 18:17:25 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE