PROPYLPARABEN CALCIUM

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C10H11O3.Ca
Molecular Weight	398.463
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PROPYLPARABEN CALCIUM

Structure Search

SMILES

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

InChI

InChIKey=WOCSLYGVQTVYAB-UHFFFAOYSA-L

InChI=1S/2C10H12O3.Ca/c2*1-2-7-13-10(12)8-3-5-9(11)6-4-8;/h2*3-6,11H,2,7H2,1H3;/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula	C10H11O3
Molecular Weight	179.1925
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

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:06:18 GMT 2025` Edited by `admin` on `Mon Mar 31 22:06:18 GMT 2025`
Record UNII	5120ZH21JA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CALCIUM PROPYL 4-HYDROXYBENZOATE

Preferred Name

English

PROPYLPARABEN CALCIUM

Common Name

English

Classification Tree Code System Code

EPA PESTICIDE CODE

61206

Created by admin on Mon Mar 31 22:06:18 GMT 2025 , Edited by admin on Mon Mar 31 22:06:18 GMT 2025

Code System Code Type Description

FDA UNII

5120ZH21JA

Created by admin on Mon Mar 31 22:06:18 GMT 2025 , Edited by admin on Mon Mar 31 22:06:18 GMT 2025

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CAS

83542-69-2

Created by admin on Mon Mar 31 22:06:18 GMT 2025 , Edited by admin on Mon Mar 31 22:06:18 GMT 2025

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PUBCHEM

86278221

Created by admin on Mon Mar 31 22:06:18 GMT 2025 , Edited by admin on Mon Mar 31 22:06:18 GMT 2025

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DRUG BANK

DBSALT002755

Created by admin on Mon Mar 31 22:06:18 GMT 2025 , Edited by admin on Mon Mar 31 22:06:18 GMT 2025

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RXCUI

1867698

Created by admin on Mon Mar 31 22:06:18 GMT 2025 , Edited by admin on Mon Mar 31 22:06:18 GMT 2025

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EPA CompTox

DTXSID0058485

Created by admin on Mon Mar 31 22:06:18 GMT 2025 , Edited by admin on Mon Mar 31 22:06:18 GMT 2025

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