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Details

Stereochemistry ACHIRAL
Molecular Formula C2H3Cl3O2
Molecular Weight 165.403
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Chloral hydrate

SMILES

OC(O)C(Cl)(Cl)Cl

InChI

InChIKey=RNFNDJAIBTYOQL-UHFFFAOYSA-N
InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H

HIDE SMILES / InChI
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

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:04:25 UTC 2023
Edited
by admin
on Fri Dec 15 15:04:25 UTC 2023
Record UNII
418M5916WG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Chloral hydrate
EP   GREEN BOOK   HSDB   MI   USP   VANDF   WHO-DD   WHO-IP  
Systematic Name English
CLORAL HYDRATE [MART.]
Common Name English
CHLORALI HYDRAS [WHO-IP LATIN]
Common Name English
Chloral hydrate [WHO-DD]
Common Name English
CHLORAL HYDRATE [MI]
Common Name English
CHLORALUM [HPUS]
Common Name English
CHLORAL HYDRATE [VANDF]
Common Name English
CHLORAL HYDRATE [USP MONOGRAPH]
Common Name English
CHLORAL HYDRATE [JAN]
Common Name English
2,2,2-TRICHLOROETHANE-1,1-DIOL
Systematic Name English
CHLORAL HYDRATE [WHO-IP]
Common Name English
CHLORAL HYDRATE [EP MONOGRAPH]
Common Name English
1,1-ETHANEDIOL, 2,2,2-TRICHLORO-
Systematic Name English
CHLORALUM
HPUS  
Common Name English
CHLORAL HYDRATE [HSDB]
Common Name English
CHLORAL HYDRATE [EP IMPURITY]
Common Name English
NSC-3210
Code English
CHLORAL HYDRATE [IARC]
Common Name English
CHLORAL HYDRATE [GREEN BOOK]
Common Name English
CLORAL HYDRATE
MART.  
Common Name English
Classification Tree Code System Code
DEA NO. 2465
Created by admin on Fri Dec 15 15:04:25 UTC 2023 , Edited by admin on Fri Dec 15 15:04:25 UTC 2023
WHO-VATC QN05CC01
Created by admin on Fri Dec 15 15:04:25 UTC 2023 , Edited by admin on Fri Dec 15 15:04:25 UTC 2023
CFR 21 CFR 1308.22
Created by admin on Fri Dec 15 15:04:25 UTC 2023 , Edited by admin on Fri Dec 15 15:04:25 UTC 2023
LIVERTOX 188
Created by admin on Fri Dec 15 15:04:25 UTC 2023 , Edited by admin on Fri Dec 15 15:04:25 UTC 2023
EPA PESTICIDE CODE 268100
Created by admin on Fri Dec 15 15:04:25 UTC 2023 , Edited by admin on Fri Dec 15 15:04:25 UTC 2023
NCI_THESAURUS C2199
Created by admin on Fri Dec 15 15:04:25 UTC 2023 , Edited by admin on Fri Dec 15 15:04:25 UTC 2023
CFR 21 CFR 522.380
Created by admin on Fri Dec 15 15:04:25 UTC 2023 , Edited by admin on Fri Dec 15 15:04:25 UTC 2023
WHO-ATC N05CC01
Created by admin on Fri Dec 15 15:04:25 UTC 2023 , Edited by admin on Fri Dec 15 15:04:25 UTC 2023
Code System Code Type Description
CHEBI
28142
Created by admin on Fri Dec 15 15:04:25 UTC 2023 , Edited by admin on Fri Dec 15 15:04:25 UTC 2023
PRIMARY
NSC
3210
Created by admin on Fri Dec 15 15:04:25 UTC 2023 , Edited by admin on Fri Dec 15 15:04:25 UTC 2023
PRIMARY
WIKIPEDIA
CHLORAL HYDRATE
Created by admin on Fri Dec 15 15:04:25 UTC 2023 , Edited by admin on Fri Dec 15 15:04:25 UTC 2023
PRIMARY
LACTMED
Chloral Hydrate
Created by admin on Fri Dec 15 15:04:25 UTC 2023 , Edited by admin on Fri Dec 15 15:04:25 UTC 2023
PRIMARY
MERCK INDEX
m3341
Created by admin on Fri Dec 15 15:04:25 UTC 2023 , Edited by admin on Fri Dec 15 15:04:25 UTC 2023
PRIMARY Merck Index
DRUG BANK
DB01563
Created by admin on Fri Dec 15 15:04:25 UTC 2023 , Edited by admin on Fri Dec 15 15:04:25 UTC 2023
PRIMARY
PUBCHEM
2707
Created by admin on Fri Dec 15 15:04:25 UTC 2023 , Edited by admin on Fri Dec 15 15:04:25 UTC 2023
PRIMARY
NCI_THESAURUS
C28922
Created by admin on Fri Dec 15 15:04:25 UTC 2023 , Edited by admin on Fri Dec 15 15:04:25 UTC 2023
PRIMARY
CAS
302-17-0
Created by admin on Fri Dec 15 15:04:25 UTC 2023 , Edited by admin on Fri Dec 15 15:04:25 UTC 2023
PRIMARY
HSDB
222
Created by admin on Fri Dec 15 15:04:25 UTC 2023 , Edited by admin on Fri Dec 15 15:04:25 UTC 2023
PRIMARY
WHO INTERNATIONAL PHARMACOPEIA
CHLORAL HYDRATE
Created by admin on Fri Dec 15 15:04:25 UTC 2023 , Edited by admin on Fri Dec 15 15:04:25 UTC 2023
PRIMARY Description: Colourless, transparent or white crystals; odour, aromatic, pungent and characteristic. Solubility: Very soluble in water; freely soluble in ethanol (~750 g/l) TS and ether R. Category: Premedication. Storage: Chloral hydrate should be kept in a tightly closed container. Additional information: Melting temperature, about 55 ?C; when exposed to air it slowly volatilizes. Requirement: Chloral hydrate contains not less than 98.5% and not more than 101.0% of C2H3Cl3O2.Note: Prepare the following test solution for use in "Identity tests A and B", and for "Clarity and colour". Dissolve 2.5 g in sufficientcarbon-dioxide-free water R to produce 25 mL.
MESH
D002697
Created by admin on Fri Dec 15 15:04:25 UTC 2023 , Edited by admin on Fri Dec 15 15:04:25 UTC 2023
PRIMARY
DAILYMED
418M5916WG
Created by admin on Fri Dec 15 15:04:25 UTC 2023 , Edited by admin on Fri Dec 15 15:04:25 UTC 2023
PRIMARY
SMS_ID
100000085010
Created by admin on Fri Dec 15 15:04:25 UTC 2023 , Edited by admin on Fri Dec 15 15:04:25 UTC 2023
PRIMARY
EVMPD
SUB13324MIG
Created by admin on Fri Dec 15 15:04:25 UTC 2023 , Edited by admin on Fri Dec 15 15:04:25 UTC 2023
PRIMARY
RXCUI
2344
Created by admin on Fri Dec 15 15:04:25 UTC 2023 , Edited by admin on Fri Dec 15 15:04:25 UTC 2023
PRIMARY RxNorm
EVMPD
SUB13325MIG
Created by admin on Fri Dec 15 15:04:25 UTC 2023 , Edited by admin on Fri Dec 15 15:04:25 UTC 2023
ALTERNATIVE
ECHA (EC/EINECS)
206-117-5
Created by admin on Fri Dec 15 15:04:25 UTC 2023 , Edited by admin on Fri Dec 15 15:04:25 UTC 2023
PRIMARY
DRUG CENTRAL
586
Created by admin on Fri Dec 15 15:04:25 UTC 2023 , Edited by admin on Fri Dec 15 15:04:25 UTC 2023
PRIMARY
FDA UNII
418M5916WG
Created by admin on Fri Dec 15 15:04:25 UTC 2023 , Edited by admin on Fri Dec 15 15:04:25 UTC 2023
PRIMARY
EPA CompTox
DTXSID7020261
Created by admin on Fri Dec 15 15:04:25 UTC 2023 , Edited by admin on Fri Dec 15 15:04:25 UTC 2023
PRIMARY
ChEMBL
CHEMBL455917
Created by admin on Fri Dec 15 15:04:25 UTC 2023 , Edited by admin on Fri Dec 15 15:04:25 UTC 2023
PRIMARY
Related Record Type Details
Structure of CHLORAL BETAINE
SALT/SOLVATE -> PARENT
Structure of CHLORAL HYDRATE ANTIPYRINE
SALT/SOLVATE -> PARENT
Structure of DICHLORALPHENAZONE
SALT/SOLVATE -> PARENT
Structure of ACETYLGLYCINAMIDE CHLORAL HYDRATE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of Trichloroacetic acid
METABOLITE INACTIVE -> PARENT
MAJOR
Structure of DICHLOROACETIC ACID
METABOLITE -> PARENT
Structure of 2,2,2-TRICHLOROETHANOL
METABOLITE ACTIVE -> PARENT
Percent of dose excreted in urine as metabolite. May be responsible for the hypnotic activity of the parent drug in man.
URINE
Structure of 2,2,2-TRICHLOROETHANOL
METABOLITE ACTIVE -> PRODRUG
MAJOR
NIH
NCATS
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