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Polpharma European CDMO Partner & API Manufacturer since 1951 Polpharma European CDMO Partner & API Manufacturer since 1951

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Technical details about O-Desmethyl-Venlafaxine Succinate, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as:
Molecular Formula
C20H29NO6-2
Molecular Weight
379.4  g/mol
InChI Key
ORUUBRMVQCKYHB-UHFFFAOYSA-L

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
butanedioate;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol
2.1.2 InChI
InChI=1S/C16H25NO2.C4H6O4/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;5-3(6)1-2-4(7)8/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1-2H2,(H,5,6)(H,7,8)/p-2
2.1.3 InChI Key
ORUUBRMVQCKYHB-UHFFFAOYSA-L
2.1.4 Canonical SMILES
CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O.C(CC(=O)[O-])C(=O)[O-]
2.2 Create Date
2015-02-02
3 Chemical and Physical Properties
Molecular Weight 379.4 g/mol
Molecular Formula C20H29NO6-2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass379.19948764 g/mol
Monoisotopic Mass379.19948764 g/mol
Topological Polar Surface Area124 Ų
Heavy Atom Count27
Formal Charge-2
Complexity348
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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