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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

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
MOL RATIO 1 MOL RATIO (average)
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
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

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

Patents

Substance Class Chemical
Record UNII
YYX637R279
Record Status Validated (UNII)
Record Version