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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

1 API Suppliers, 1 USDMF

1 API Suppliers
1 USDMF

Synopsis

ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: 114090-47-0, Dtxsid60765688

Molecular Formula

C₁₄H₂₁NO₂

Molecular Weight

235.32 g/mol

InChI Key

RCAFBYLPBJRXII-UHFFFAOYSA-N

1 2D Structure

Phenylephirine Oxazolidine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(2-tert-butyl-3-methyl-1,3-oxazolidin-5-yl)phenol

2.1.2 InChI

InChI=1S/C14H21NO2/c1-14(2,3)13-15(4)9-12(17-13)10-7-5-6-8-11(10)16/h5-8,12-13,16H,9H2,1-4H3

2.1.3 InChI Key

RCAFBYLPBJRXII-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)C1N(CC(O1)C2=CC=CC=C2O)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 114090-47-0

2. Dtxsid60765688

2.3 Create Date

2013-05-21

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₂₁NO₂
Molecular Weight	235.32 g/mol
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	235.157228913 g/mol
Monoisotopic Mass	235.157228913 g/mol
Topological Polar Surface Area	32.7 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	261
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	1