DICHLORALPHENAZONE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H12N2O.2C2H3Cl3O2
Molecular Weight	519.032
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DICHLORALPHENAZONE

Structure Search

SMILES

OC(O)C(Cl)(Cl)Cl.OC(O)C(Cl)(Cl)Cl.CN1N(C(=O)C=C1C)C2=CC=CC=C2

InChI

InChIKey=ATKXDQOHNICLQW-UHFFFAOYSA-N

InChI=1S/C11H12N2O.2C2H3Cl3O2/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;2*3-2(4,5)1(6)7/h3-8H,1-2H3;2*1,6-7H

HIDE SMILES / InChI

Molecular Formula	C11H12N2O
Molecular Weight	188.2258
Charge	0
Count

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

Molecular Formula	C2H3Cl3O2
Molecular Weight	165.403
Charge	0
Count

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5251576/pdf/hosplond70036-0011.pdf | https://pubchem.ncbi.nlm.nih.gov/compound/72941437

CHLORAL HYDRATE ANTIPYRINE is a 1:1 mixture of antipyrine with chloral hydrate. It was used as a hypnotic drug known as HYPNAL in the late 19th century.

Approval Year

PubMed

PubMed

Title	Date	PubMed
A fatality after antipyrine administration.	1991 Jun	2060257

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:37:15 UTC 2023` Edited by `admin` on `Fri Dec 15 15:37:15 UTC 2023`
Record UNII	YYX637R279
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DICHLORALPHENAZONE

Common Name

English

DICHLORALPHENAZONE CIV [USP-RS]

Common Name

English

Antipyrine, compound with chloral hydrate (1:2)

Common Name

English

DICHLORALANTIPYRINE

Common Name

English

DICHLORALPHENAZONE [VANDF]

Common Name

English

DICHLORALPHENAZONE CIV

Common Name

English

Dichloralphenazone [WHO-DD]

Common Name

English

DICHLORALPHENAZONE [USP IMPURITY]

Common Name

English

1,2-DIHYDRO-1,5-DIMETHYL-2-PHENYL-3H-PYRAZOL-3-ONE, COMPD. WITH 2,2,2-TRICHLORO-1,1-ETHANEDIOL (1:2)

Systematic Name

English

DICHLORALPHENAZONE [MI]

Common Name

English

DICHLORALPHENAZONE [MART.]

Common Name

English

Classification Tree Code System Code

DEA NO.

2467

Created by admin on Fri Dec 15 15:37:15 UTC 2023 , Edited by admin on Fri Dec 15 15:37:15 UTC 2023

NCI_THESAURUS

C29756

Created by admin on Fri Dec 15 15:37:15 UTC 2023 , Edited by admin on Fri Dec 15 15:37:15 UTC 2023

LIVERTOX

296

Created by admin on Fri Dec 15 15:37:15 UTC 2023 , Edited by admin on Fri Dec 15 15:37:15 UTC 2023

WHO-VATC

QN05CC04

Created by admin on Fri Dec 15 15:37:15 UTC 2023 , Edited by admin on Fri Dec 15 15:37:15 UTC 2023

WHO-ATC

N05CC04

Created by admin on Fri Dec 15 15:37:15 UTC 2023 , Edited by admin on Fri Dec 15 15:37:15 UTC 2023

Code System Code Type Description

WIKIPEDIA

DICHLORALPHENAZONE

Created by admin on Fri Dec 15 15:37:15 UTC 2023 , Edited by admin on Fri Dec 15 15:37:15 UTC 2023

PRIMARY

CAS

480-30-8

Created by admin on Fri Dec 15 15:37:15 UTC 2023 , Edited by admin on Fri Dec 15 15:37:15 UTC 2023

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EVMPD

SUB13563MIG

Created by admin on Fri Dec 15 15:37:15 UTC 2023 , Edited by admin on Fri Dec 15 15:37:15 UTC 2023

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MERCK INDEX

m4325

Created by admin on Fri Dec 15 15:37:15 UTC 2023 , Edited by admin on Fri Dec 15 15:37:15 UTC 2023

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Merck Index

EPA CompTox

DTXSID2022919

Created by admin on Fri Dec 15 15:37:15 UTC 2023 , Edited by admin on Fri Dec 15 15:37:15 UTC 2023

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NCI_THESAURUS

C87204

Created by admin on Fri Dec 15 15:37:15 UTC 2023 , Edited by admin on Fri Dec 15 15:37:15 UTC 2023

PRIMARY

ECHA (EC/EINECS)

207-546-0

Created by admin on Fri Dec 15 15:37:15 UTC 2023 , Edited by admin on Fri Dec 15 15:37:15 UTC 2023

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SMS_ID

100000079550

Created by admin on Fri Dec 15 15:37:15 UTC 2023 , Edited by admin on Fri Dec 15 15:37:15 UTC 2023

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DRUG BANK

DB01495

Created by admin on Fri Dec 15 15:37:15 UTC 2023 , Edited by admin on Fri Dec 15 15:37:15 UTC 2023

PRIMARY

PUBCHEM

10188

Created by admin on Fri Dec 15 15:37:15 UTC 2023 , Edited by admin on Fri Dec 15 15:37:15 UTC 2023

PRIMARY

MESH

C007333

Created by admin on Fri Dec 15 15:37:15 UTC 2023 , Edited by admin on Fri Dec 15 15:37:15 UTC 2023

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FDA UNII

YYX637R279

Created by admin on Fri Dec 15 15:37:15 UTC 2023 , Edited by admin on Fri Dec 15 15:37:15 UTC 2023

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LACTMED

Dichloralphenazone

Created by admin on Fri Dec 15 15:37:15 UTC 2023 , Edited by admin on Fri Dec 15 15:37:15 UTC 2023

PRIMARY

RXCUI

22892

Created by admin on Fri Dec 15 15:37:15 UTC 2023 , Edited by admin on Fri Dec 15 15:37:15 UTC 2023

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RxNorm

RS_ITEM_NUM

1187207

Created by admin on Fri Dec 15 15:37:15 UTC 2023 , Edited by admin on Fri Dec 15 15:37:15 UTC 2023

PRIMARY

Related Record Type Details


					T3CHA1B51H

PARENT -> SALT/SOLVATE


					418M5916WG

Chloral hydrate

PARENT -> SALT/SOLVATE

Related Record Type Details


					418M5916WG

Chloral hydrate

ACTIVE MOIETY


					T3CHA1B51H

ACTIVE MOIETY