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Chemistry

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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

Cyclizine Lactate

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 Formula	C₂₁H₂₈N₂O₃
Molecular Weight	356.5 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	356.20999276 g/mol
Monoisotopic Mass	356.20999276 g/mol
Topological Polar Surface Area	64 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	312
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2