1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,3-dihydroxybutanedioic acid;(1R,9R)-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol

2.1.2 InChI

InChI=1S/C19H25NO.C4H6O6/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19;5-1(3(7)8)2(6)4(9)10/h2,6-7,13,16,18,21H,1,3-5,8-12H2;1-2,5-6H,(H,7,8)(H,9,10)/t16?,18-,19-;/m1./s1

2.1.3 InChI Key

FWMLYVACGDQRFU-TXCKIBRGSA-N

2.1.4 Canonical SMILES

C=CCN1CCC23CCCCC2C1CC4=C3C=C(C=C4)O.C(C(C(=O)O)O)(C(=O)O)O

2.1.5 Isomeric SMILES

C=CCN1CC[C@]23CCCCC2[C@H]1CC4=C3C=C(C=C4)O.C(C(C(=O)O)O)(C(=O)O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Levallorphan Tartrate

2. Lopac0_000771

3. Chembl1598018

4. Hms3262k04

5. Tox21_500771

6. Ccg-222075

7. Lp00771

8. Ncgc00094110-01

9. Ncgc00261456-01

10. Eu-0100771

11. L-121

12. Sr-01000076234

13. Sr-01000076234-1

2.3 Create Date

2006-12-01

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₃₁NO₇
Molecular Weight	433.5 g/mol
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	433.21005233 g/mol
Monoisotopic Mass	433.21005233 g/mol
Topological Polar Surface Area	139 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	542
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

Levallorphan Tartrate

Levallorphan Tartrate

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1 FDF Dossiers

1 FDA Orange Book

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