AMINOPHENAZONE GENTISATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H17N3O.C7H6O4
Molecular Weight	385.4137
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of AMINOPHENAZONE GENTISATE

Structure Search

SMILES

OC(=O)C1=CC(O)=CC=C1O.CN(C)C2=C(C)N(C)N(C2=O)C3=CC=CC=C3

InChI

InChIKey=GQUQRKUQWVVIJY-UHFFFAOYSA-N

InChI=1S/C13H17N3O.C7H6O4/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;8-4-1-2-6(9)5(3-4)7(10)11/h5-9H,1-4H3;1-3,8-9H,(H,10,11)

HIDE SMILES / InChI

Molecular Formula	C7H6O4
Molecular Weight	154.1201
Charge	0
Count

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

Molecular Formula	C13H17N3O
Molecular Weight	231.2936
Charge	0
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 `Sat Dec 16 05:16:20 UTC 2023` Edited by `admin` on `Sat Dec 16 05:16:20 UTC 2023`
Record UNII	OOU2R8MG2B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AMINOPHENAZONE GENTISATE

Systematic Name

English

AMINOPYRINE, COMPDS. WITH GENTISIC ACID

Common Name

English

BENZOIC ACID, 2,5-DIHYDROXY-, COMPD. WITH 4-(DIMETHYLAMINO)-1,2-DIHYDRO-1,5-DIMETHYL-2-PHENYL-3H-PYRAZOL-3-ONE (1:1)

Systematic Name

English

Aminophenazone gentisate [WHO-DD]

Common Name

English

2,5-DIHYDROXYBENZOIC ACID, COMPOUND WITH 4-(DIMETHYLAMINO)-1,2-DIHYDRO-1,5-DIMETHYL-2-PHENYL-3H-PYRAZOL-3-ONE (1:1)

Systematic Name

English

3H-PYRAZOL-3-ONE, 4-(DIMETHYLAMINO)-1,2-DIHYDRO-1,5-DIMETHYL-2-PHENYL-, MONO(2,5-DIHYDROXYBENZOATE)

Systematic Name

English

Code System Code Type Description

CAS

93841-78-2

Created by admin on Sat Dec 16 05:16:20 UTC 2023 , Edited by admin on Sat Dec 16 05:16:20 UTC 2023

PRIMARY

EPA CompTox

DTXSID00208044

Created by admin on Sat Dec 16 05:16:20 UTC 2023 , Edited by admin on Sat Dec 16 05:16:20 UTC 2023

PRIMARY

PUBCHEM

101002

Created by admin on Sat Dec 16 05:16:20 UTC 2023 , Edited by admin on Sat Dec 16 05:16:20 UTC 2023

PRIMARY

ECHA (EC/EINECS)

299-050-6

Created by admin on Sat Dec 16 05:16:20 UTC 2023 , Edited by admin on Sat Dec 16 05:16:20 UTC 2023

PRIMARY

ECHA (EC/EINECS)

261-689-3

Created by admin on Sat Dec 16 05:16:20 UTC 2023 , Edited by admin on Sat Dec 16 05:16:20 UTC 2023

NON-SPECIFIC STOICHIOMETRY

FDA UNII

OOU2R8MG2B

Created by admin on Sat Dec 16 05:16:20 UTC 2023 , Edited by admin on Sat Dec 16 05:16:20 UTC 2023

PRIMARY

EVMPD

SUB00457MIG

Created by admin on Sat Dec 16 05:16:20 UTC 2023 , Edited by admin on Sat Dec 16 05:16:20 UTC 2023

PRIMARY

SMS_ID

100000085174

Created by admin on Sat Dec 16 05:16:20 UTC 2023 , Edited by admin on Sat Dec 16 05:16:20 UTC 2023

PRIMARY

CAS

59302-11-3

Created by admin on Sat Dec 16 05:16:20 UTC 2023 , Edited by admin on Sat Dec 16 05:16:20 UTC 2023

NON-SPECIFIC STOICHIOMETRY

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