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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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ACTIVE PHARMA INGREDIENTS

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Also known as: 670-40-6, L-pseudoephedrine hydrochloride, Einecs 211-577-5, Schembl22824, Dtxsid20217198, (r-(r*,r*))-alpha-(1-(methylamino)ethyl)benzyl alcohol hydrochloride

Molecular Formula

C₁₀H₁₆ClNO

Molecular Weight

201.69 g/mol

InChI Key

BALXUFOVQVENIU-SCYNACPDSA-N

1 2D Structure

Pseudoephedrine, Hydrochloride, (-)-

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R,2R)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride

2.1.2 InChI

InChI=1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H/t8-,10+;/m1./s1

2.1.3 InChI Key

BALXUFOVQVENIU-SCYNACPDSA-N

2.1.4 Canonical SMILES

CC(C(C1=CC=CC=C1)O)NC.Cl

2.1.5 Isomeric SMILES

C[C@H]([C@@H](C1=CC=CC=C1)O)NC.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 670-40-6

2. L-pseudoephedrine Hydrochloride

3. Einecs 211-577-5

4. Schembl22824

5. Dtxsid20217198

6. (r-(r*,r*))-alpha-(1-(methylamino)ethyl)benzyl Alcohol Hydrochloride

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₆ClNO
Molecular Weight	201.69 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	201.0920418 g/mol
Monoisotopic Mass	201.0920418 g/mol
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	121
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2