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Details

Stereochemistry ACHIRAL
Molecular Formula C20H21NO
Molecular Weight 291.3868
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTINOLINE

SMILES

OC(C#CCN1CCCC1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=LWPXJPFOEPMIRG-UHFFFAOYSA-N
InChI=1S/C20H21NO/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/h1-6,10-13,22H,7-8,15-17H2

HIDE SMILES / InChI

Molecular Formula C20H21NO
Molecular Weight 291.3868
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

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

Approval Year

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown

PubMed

Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
G216926E9T
Record Status Validated (UNII)
Record Version