Please Wait
Applying Filters...
Menu
$ API Ref.Price (USD/KG) : 179Xls
2D Structure
Also known as: 5897-19-8, Valoid, 1-(diphenylmethyl)-4-methylpiperazine monolactate, 1-benzhydryl-4-methylpiperazine;2-hydroxypropanoic acid, 861r00j986, Piperazine, 1-(diphenylmethyl)-4-methyl-, mono(2-hydroxypropanoate)
Molecular Formula
C21H28N2O3
Molecular Weight
356.5  g/mol
InChI Key
JOROEVAWQLGPFQ-UHFFFAOYSA-N
FDA UNII
861R00J986

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-benzhydryl-4-methylpiperazine;2-hydroxypropanoic acid
2.1.2 InChI
InChI=1S/C18H22N2.C3H6O3/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-2(4)3(5)6/h2-11,18H,12-15H2,1H3;2,4H,1H3,(H,5,6)
2.1.3 InChI Key
JOROEVAWQLGPFQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C(=O)O)O.CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3
2.2 Other Identifiers
2.2.1 UNII
861R00J986
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 5897-19-8

2. Valoid

3. 1-(diphenylmethyl)-4-methylpiperazine Monolactate

4. 1-benzhydryl-4-methylpiperazine;2-hydroxypropanoic Acid

5. 861r00j986

6. Piperazine, 1-(diphenylmethyl)-4-methyl-, Mono(2-hydroxypropanoate)

7. Cyclizine Lactate [usp:ban]

8. Unii-861r00j986

9. Marezine (tn)

10. Bw 4783

11. Cyclizine Lactate (ban)

12. Schembl100341

13. Chembl1200497

14. Cyclizine Lactate [vandf]

15. Dtxsid10974465

16. Cyclizine Lactate [mart.]

17. (+/-)-cyclizine Lactate

18. Cyclizine Lactate [who-dd]

19. Cyclizine Lactate, (+/-)-

20. Cyclizine Lactate [orange Book]

21. D02090

22. Q27269693

23. 2-hydroxypropanoic Acid--1-(diphenylmethyl)-4-methylpiperazine (1/1)

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 356.5 g/mol
Molecular Formula C21H28N2O3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass356.20999276 g/mol
Monoisotopic Mass356.20999276 g/mol
Topological Polar Surface Area64 Ų
Heavy Atom Count26
Formal Charge0
Complexity312
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2