ASPIRIN COPPER

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C9H7O4.Cu
Molecular Weight	421.845
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ASPIRIN COPPER

Structure Search

SMILES

[Cu++].CC(=O)OC1=CC=CC=C1C([O-])=O.CC(=O)OC2=CC=CC=C2C([O-])=O

InChI

InChIKey=CMDYHTIDHSNRGW-UHFFFAOYSA-L

InChI=1S/2C9H8O4.Cu/c2*1-6(10)13-8-5-3-2-4-7(8)9(11)12;/h2*2-5H,1H3,(H,11,12);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula	Cu
Molecular Weight	63.546
Charge	2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C9H7O4
Molecular Weight	179.1495
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 17:15:13 UTC 2023` Edited by `admin` on `Fri Dec 15 17:15:13 UTC 2023`
Record UNII	5DR11472UI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ASPIRIN COPPER

Common Name

English

ACETYLSALICYLATE COPPER

Systematic Name

English

COPPER ASPIRIN

Common Name

English

COPPER, BIS(2-((ACETYL-.KAPPA.O)OXY)BENZOATO-.KAPPA.O)-

Common Name

English

COPPER(II) ACETYLSALICYLATE STN (SCIFINDER)

Common Name

English

Acetylsalicylate copper [WHO-DD]

Common Name

English

BIS(2-ACETOXYBENZOATO)COPPER

Common Name

English

ACETYLSALICYLIC ACID-COPPER CHELATE

Common Name

English

Code System Code Type Description

PUBCHEM

31869

Created by admin on Fri Dec 15 17:15:13 UTC 2023 , Edited by admin on Fri Dec 15 17:15:13 UTC 2023

PRIMARY

CAS

23325-63-5

Created by admin on Fri Dec 15 17:15:13 UTC 2023 , Edited by admin on Fri Dec 15 17:15:13 UTC 2023

PRIMARY

ECHA (EC/EINECS)

245-583-4

Created by admin on Fri Dec 15 17:15:13 UTC 2023 , Edited by admin on Fri Dec 15 17:15:13 UTC 2023

PRIMARY

NCI_THESAURUS

C200709

Created by admin on Fri Dec 15 17:15:13 UTC 2023 , Edited by admin on Fri Dec 15 17:15:13 UTC 2023

PRIMARY

SMS_ID

100000078810

Created by admin on Fri Dec 15 17:15:13 UTC 2023 , Edited by admin on Fri Dec 15 17:15:13 UTC 2023

PRIMARY

FDA UNII

5DR11472UI

Created by admin on Fri Dec 15 17:15:13 UTC 2023 , Edited by admin on Fri Dec 15 17:15:13 UTC 2023

PRIMARY

EVMPD

SUB00273MIG

Created by admin on Fri Dec 15 17:15:13 UTC 2023 , Edited by admin on Fri Dec 15 17:15:13 UTC 2023

PRIMARY

EPA CompTox

DTXSID30177875

Created by admin on Fri Dec 15 17:15:13 UTC 2023 , Edited by admin on Fri Dec 15 17:15:13 UTC 2023

PRIMARY

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