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Details

Stereochemistry RACEMIC
Molecular Formula C19H25NO2
Molecular Weight 299.4073
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MDL-201012 FREE BASE

SMILES

CN(C)CC#CCCC(=O)C(O)(C1CCC1)C2=CC=CC=C2

InChI

InChIKey=BCOZTAXOTDBLEA-UHFFFAOYSA-N
InChI=1S/C19H25NO2/c1-20(2)15-8-4-7-14-18(21)19(22,17-12-9-13-17)16-10-5-3-6-11-16/h3,5-6,10-11,17,22H,7,9,12-15H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C19H25NO2
Molecular Weight 299.4073
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

MDL 201012 is a muscarinic M3 receptor antagonist.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
4.9 nM [Ki]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Analogues of oxybutynin. Synthesis and antimuscarinic and bladder activity of some substituted 7-amino-1-hydroxy-5-heptyn-2-ones and related compounds.
1991 Oct
Determination of MDL 201,012 at femtomole/millilitre levels in human plasma by liquid chromatography with electrochemical detection.
1992 Nov-Dec
Patents

Patents

Sample Use Guides

In acute dose tolerance studies MDL 201012 was administered to humans as an oral solution in a dose of 4 mg.
Route of Administration: Oral
In Vitro Use Guide
Antimuscarinic activity was measured using strips of guinea pig bladder tetrusor muscle. Isometric contractions were recorded as a response for agonist stimulation. Antimuscarinic studies were conducted by constructing concentration-response curves to carbachol in the absence and presence of several concentrations of antagonist. MDL 201012 inhibits carbachol-induced contraction of bladder strips with Ki of 4.9 nM.
Substance Class Chemical
Created
by admin
on Sat Dec 16 13:56:23 GMT 2023
Edited
by admin
on Sat Dec 16 13:56:23 GMT 2023
Record UNII
8UR0ZWJ83I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MDL-201012 FREE BASE
Code English
5-HEPTYN-2-ONE, 1-CYCLOBUTYL-7-(DIMETHYLAMINO)-1-HYDROXY-1-PHENYL-, (±)-
Systematic Name English
Code System Code Type Description
PUBCHEM
131987
Created by admin on Sat Dec 16 13:56:23 GMT 2023 , Edited by admin on Sat Dec 16 13:56:23 GMT 2023
PRIMARY
CAS
136722-45-7
Created by admin on Sat Dec 16 13:56:23 GMT 2023 , Edited by admin on Sat Dec 16 13:56:23 GMT 2023
PRIMARY
FDA UNII
8UR0ZWJ83I
Created by admin on Sat Dec 16 13:56:23 GMT 2023 , Edited by admin on Sat Dec 16 13:56:23 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT