CAS 90-22-2 | N,N-Diethyl-N-methyl-2-((3-methyl-2-phenylpentanoyl);oxy);ethanaminium bromide | CAS Number 90-22-2

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90-22-2 | N,N-Diethyl-N-methyl-2-((3-methyl-2-phenylpentanoyl);oxy);ethanaminium bromide

CAS No: 90-22-2 Catalog No: AG003VA9 MDL No:MFCD00031617

Product Description

Catalog Number:

AG003VA9

Chemical Name:

N,N-Diethyl-N-methyl-2-((3-methyl-2-phenylpentanoyl);oxy);ethanaminium bromide

CAS Number:

90-22-2

Molecular Formula:

C19H32BrNO2

Molecular Weight:

386.3669

MDL Number:

MFCD00031617

IUPAC Name:

diethyl-methyl-[2-(3-methyl-2-phenylpentanoyl)oxyethyl]azanium;bromide

InChI:

InChI=1S/C19H32NO2.BrH/c1-6-16(4)18(17-12-10-9-11-13-17)19(21)22-15-14-20(5,7-2)8-3;/h9-13,16,18H,6-8,14-15H2,1-5H3;1H/q+1;/p-1

InChI Key:

CEJGGHKJHDHLAZ-UHFFFAOYSA-M

SMILES:

CCC(C(c1ccccc1)C(=O)OCC[N+](CC)(CC)C)C.[Br-]

EC Number:

201-977-8

Properties

Complexity:

319

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

385.162g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

386.374g/mol

Monoisotopic Mass:

385.162g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
A randomised controlled study comparing Drotaverine hydrochloride and Valethamate bromide in the augmentation of labour.	Archives of gynecology and obstetrics 20100701
Inhibitory effect of anticholinergics on the contraction of isolated caprine urinary bladder detrusor muscle.	Autonomic & autacoid pharmacology 20100701
Meperidine versus valethamate bromide in shortening the duration of active labor.	International journal of gynaecology and obstetrics: the official organ of the International Federation of Gynaecology and Obstetrics 20091101
Drotaverine hydrochloride vs. valethamate bromide in acceleration of labor.	International journal of gynaecology and obstetrics: the official organ of the International Federation of Gynaecology and Obstetrics 20010901