PENTHRICHLORAL

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H11Cl3O4
Molecular Weight	265.519
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OCC1(CO)COC(OC1)C(Cl)(Cl)Cl

InChI

InChIKey=QMSJBEPHXPSJPT-UHFFFAOYSA-N

InChI=1S/C7H11Cl3O4/c8-7(9,10)5-13-3-6(1-11,2-12)4-14-5/h5,11-12H,1-4H2

HIDE SMILES / InChI

Molecular Formula	C7H11Cl3O4
Molecular Weight	265.519
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/pubmed/13758622 | Elks, J. (2014) The Dictionary of Drugs: Chemical Data, page 948, retrieved from: https://books.google.ru/books?id=0vXTBwAAQBAJ | Martindale, W. (1967) Extra Pharmacopoeia; Incorporating "Squires Companion", page 310, retrieved from: https://books.google.ru/books?id=xH-4AAAAIAAJ

Penthrichloral has sedative and hypnotic properties similar to those of chloral hydrate but it is more palatable and causes less gastric irritation. Penthrichloral is a binder for polyester fibers.

Approval Year

PubMed

Title	Date	PubMed
Designing sedative/hypnotic compounds from a novel substructural graph-theoretical approach.	1998 Nov	9879506

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:25:43 GMT 2023` Edited by `admin` on `Fri Dec 15 16:25:43 GMT 2023`
Record UNII	ADN850L91I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PENTHRICHLORAL

Official Name

English

5,5-DI(HYDROXYMETHYL)-2-TRICHLOROMETHYL-1,3-DIOXAN

Systematic Name

English

penthrichloral [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29756