1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-benzhydryl-4-methylpiperazine;(2R,3R)-2,3-dihydroxybutanedioic acid

2.1.2 InChI

InChI=1S/C18H22N2.C4H6O6/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17;5-1(3(7)8)2(6)4(9)10/h2-11,18H,12-15H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1

2.1.3 InChI Key

RZRUVHZEJGYXMW-LREBCSMRSA-N

2.1.4 Canonical SMILES

CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3.C(C(C(=O)O)O)(C(=O)O)O

2.1.5 Isomeric SMILES

CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

2.2 Other Identifiers

2.2.1 UNII

NWO82JA8TB

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Nwo82ja8tb

2. 84057-82-9

3. Unii-nwo82ja8tb

4. Einecs 281-899-9

5. Dtxsid10232951

6. 1-benzhydryl-4-methylpiperazine (r-(r*,r*))-tartrate (1:1)

7. Cyclizine Tartrate [who-dd]

8. Q27285084

9. Piperazine, 1-(diphenylmethyl)-4-methyl-, (2r,3r)-2,3-dihydroxybutanedioate (1:1)

10. Piperazine, 1-(diphenylmethyl)-4-methyl-, (r-(r*,r*))-2,3-dihydroxybutanedioate (1:1)

2.4 Create Date

2009-08-20

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₈N₂O₆
Molecular Weight	416.5 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	416.19473662 g/mol
Monoisotopic Mass	416.19473662 g/mol
Topological Polar Surface Area	122 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	387
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

Cyclizine Tartrate

Cyclizine Tartrate

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2 South Africa

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