BUTINOLINE PHOSPHATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H21NO.H3O4P
Molecular Weight	389.382
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OP(O)(O)=O.OC(C#CCN1CCCC1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=KJRDQHIYWCTNTN-UHFFFAOYSA-N

InChI=1S/C20H21NO.H3O4P/c22-20(18-10-3-1-4-11-18,19-12-5-2-6-13-19)14-9-17-21-15-7-8-16-21;1-5(2,3)4/h1-6,10-13,22H,7-8,15-17H2;(H3,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula	C20H21NO
Molecular Weight	291.3868
Charge	0
Count

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

Molecular Formula	H3O4P
Molecular Weight	97.9952
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/14332781

Butinoline (also known as azulone) was used as an antispasmodic drug to treat gastritis.

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Gastritis 45 Sources: https://www.ncbi.nlm.nih.gov/pubmed/14916619	Primary		Not Provided 504	Unknown Approved Use Unknown

PubMed

Title	Date	PubMed
[Prophylaxis and therapy of radiodermatitis with azulone preparations].	1956	13401310

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:36:29 GMT 2023` Edited by `admin` on `Fri Dec 15 18:36:29 GMT 2023`
Record UNII	EB2657YYBG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BUTINOLINE PHOSPHATE

Common Name

English

BUTINOLINE PHOSPHATE [MART.]

Common Name

English

1,1-DIPHENYL-4-PYRROLIDINO-1'-YL BUT-2-YN-L-OL PHOSPHATE

Common Name

English

BENZENEMETHANOL, .ALPHA.-PHENYL-.ALPHA.-(3-(1-PYRROLIDINYL)-1-PROPYNYL)-, PHOSPHATE (1:1) (SALT)

Common Name

English

Butinoline phosphate [WHO-DD]

Common Name

English

Code System Code Type Description

PUBCHEM

20841746