U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 of BUTINOLINE PHOSPHATE

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

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
[Treatment of gastritis; clinical observations of the effect of azulone].
1952 Jan 4
[Prophylaxis and therapy of radiodermatitis with azulone preparations].
1956
[Cytological studies in evaluation of the therapeutic efficacy of an azulene-containing preparation (azulone liquidum) in gastritis].
1959 Aug 22
Patents

Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Name Type Language
BUTINOLINE PHOSPHATE
MART.   WHO-DD  
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
Created by admin on Fri Dec 15 18:36:29 GMT 2023 , Edited by admin on Fri Dec 15 18:36:29 GMT 2023
PRIMARY
CAS
54118-66-0
Created by admin on Fri Dec 15 18:36:29 GMT 2023 , Edited by admin on Fri Dec 15 18:36:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID10969013
Created by admin on Fri Dec 15 18:36:29 GMT 2023 , Edited by admin on Fri Dec 15 18:36:29 GMT 2023
PRIMARY
EVMPD
SUB00916MIG
Created by admin on Fri Dec 15 18:36:29 GMT 2023 , Edited by admin on Fri Dec 15 18:36:29 GMT 2023
PRIMARY
FDA UNII
EB2657YYBG
Created by admin on Fri Dec 15 18:36:29 GMT 2023 , Edited by admin on Fri Dec 15 18:36:29 GMT 2023
PRIMARY
SMS_ID
100000084841
Created by admin on Fri Dec 15 18:36:29 GMT 2023 , Edited by admin on Fri Dec 15 18:36:29 GMT 2023
PRIMARY
ECHA (EC/EINECS)
258-982-3
Created by admin on Fri Dec 15 18:36:29 GMT 2023 , Edited by admin on Fri Dec 15 18:36:29 GMT 2023
PRIMARY