GUAITHYLLINE

Details

Stereochemistry	RACEMIC
Molecular Formula	C10H14O4.C7H8N4O2
Molecular Weight	378.3798
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1C2=C(NC=N2)C(=O)N(C)C1=O.COC3=C(OCC(O)CO)C=CC=C3

InChI

InChIKey=PVKUHCBHOUMGJN-UHFFFAOYSA-N

InChI=1S/C10H14O4.C7H8N4O2/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11;1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h2-5,8,11-12H,6-7H2,1H3;3H,1-2H3,(H,8,9)

HIDE SMILES / InChI

Molecular Formula	C7H8N4O2
Molecular Weight	180.164
Charge	0
Count

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

Molecular Formula	C10H14O4
Molecular Weight	198.2158
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Description
Sources: https://books.google.ru/books?id=xUlaDwAAQBAJ&pg=PT1242&lpg=PT1242&dq=GUAITHYLLINE&source=bl&ots=Cnz1jSdwaS&sig=ACfU3U129K6gOMnRt4DaDhbSm8iWp5Xezg&hl=ru&sa=X&ved=2ahUKEwjlqtCa0KriAhWeAxAIHVB1BuM4ChDoATAJegQICBAB#v=onepage&q=GUAITHYLLINE&f=false

Guaithylline (or Guaifylline), a xanthine derivative that was studied as a bronchodilator and expectorant, however, has never been marketed.

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:58:15 GMT 2023` Edited by `admin` on `Fri Dec 15 18:58:15 GMT 2023`
Record UNII	23LFU6H8JD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GUAITHYLLINE

Official Name

English

guaifylline [INN]

Common Name

English

GUAIFYLLINE

Official Name

English

1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIMETHYL-, COMPD. WITH 3-(2-METHOXYPHENOXY-1,2-PROPANEDIOL (1:1)

Common Name

English

GUAITHYLLINE [USAN]

Common Name

English

1,2-PROPANEDIOL, 3-(2-METHOXYPHENOXY)-, COMPD. WITH 3,7-DIHYDRO-1,3-DIMETHYL-1H-PURINE-2,6-DIONE (1:1)

Systematic Name

English

ECLABRON

Brand Name

English

1H-PURINE-2,6-DIONE, 3,9-DIHYDRO-1,3-DIMETHYL-, COMPD. WITH 3-(2-METHOXYPHENOXY)-1,2-PROPANEDIOL (1:1)

Systematic Name

English

THEOPHYLLINE, COMPD. WITH 3-(O-METHOXYPHENOXY)-1,2-PROPANEDIOL (1:1)

Common Name

English

Code System Code Type Description

INN

2076