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Chemistry

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Also known as: Schembl41779, Dtxsid60936134, 4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl propanoate--hydrogen chloride (1/1)

Molecular Formula

C₂₂H₃₀ClNO₂

Molecular Weight

375.9 g/mol

InChI Key

QMQBBUPJKANITL-UHFFFAOYSA-N

1 2D Structure

L-Propoxyphene Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate;hydrochloride

2.1.2 InChI

InChI=1S/C22H29NO2.ClH/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;/h6-15,18H,5,16-17H2,1-4H3;1H

2.1.3 InChI Key

QMQBBUPJKANITL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Schembl41779

2. Dtxsid60936134

3. 4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl Propanoate--hydrogen Chloride (1/1)

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₃₀ClNO₂
Molecular Weight	375.9 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Exact Mass	375.1965069 g/mol
Monoisotopic Mass	375.1965069 g/mol
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	397
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Drug and Medication Information

4.1 Drug Information

1 of 2
Drug Name	Propoxyphene hydrochloride
Drug Label	DESCRIPTIONPropoxyphene hydrochloride, USP is an odorless, white crystalline powder with a bitter taste. It is freely soluble in water. Chemically, it is (2S,3R)-(+)-4-(Dimethylamino)-3-methyl-1,2-diphenyl-2-butanol propionate (ester) hydrochloride,...
Active Ingredient	Propoxyphene hydrochloride
Dosage Form	Capsule
Route	Oral
Strength	32mg
Market Status	Prescription
Company	Pvt Form

2 of 2
Drug Name	Propoxyphene hydrochloride
Drug Label	DESCRIPTIONPropoxyphene hydrochloride, USP is an odorless, white crystalline powder with a bitter taste. It is freely soluble in water. Chemically, it is (2S,3R)-(+)-4-(Dimethylamino)-3-methyl-1,2-diphenyl-2-butanol propionate (ester) hydrochloride,...
Active Ingredient	Propoxyphene hydrochloride
Dosage Form	Capsule
Route	Oral
Strength	32mg
Market Status	Prescription
Company	Pvt Form