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Chemistry

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Also known as: 61670-09-5, 6k8knj07d8, Soventol (tn), N-benzyl-1-methyl-n-phenylpiperidin-4-amine;2-hydroxypropanoic acid, Unii-6k8knj07d8, Einecs 262-887-2

Molecular Formula

C₂₂H₃₀N₂O₃

Molecular Weight

370.5 g/mol

InChI Key

VUNFQOFEWHEROV-UHFFFAOYSA-N

FDA UNII

6K8KNJ07D8

1 2D Structure

Bamipine lactate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-benzyl-1-methyl-N-phenylpiperidin-4-amine;2-hydroxypropanoic acid

2.1.2 InChI

InChI=1S/C19H24N2.C3H6O3/c1-20-14-12-19(13-15-20)21(18-10-6-3-7-11-18)16-17-8-4-2-5-9-17;1-2(4)3(5)6/h2-11,19H,12-16H2,1H3;2,4H,1H3,(H,5,6)

2.1.3 InChI Key

VUNFQOFEWHEROV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C(=O)O)O.CN1CCC(CC1)N(CC2=CC=CC=C2)C3=CC=CC=C3

2.2 Other Identifiers

2.2.1 UNII

6K8KNJ07D8

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Bamipine

2. Bamipine Citrate

3. Bamipine Dihydrochloride

4. Bamipine Dihydrochloride, Hydrate

5. Bamipine Ethanol Hydrate

6. Bamipine Monohydrochloride

7. Bampine Hydrochloride

8. Soventol

2.3.2 Depositor-Supplied Synonyms

1. 61670-09-5

2. 6k8knj07d8

3. Soventol (tn)

4. N-benzyl-1-methyl-n-phenylpiperidin-4-amine;2-hydroxypropanoic Acid

5. Unii-6k8knj07d8

6. Einecs 262-887-2

7. Schembl2968324

8. Bamipine Lactate [who-dd]

9. Lactic Acid, Compound With N-benzyl-1-methyl-n-phenylpiperidin-4-amine (1:1)

10. Multifungin Component Bamipine Lactate

11. Ns00086627

12. D07493

13. Bamipine Lactate Component Of Multifungin

14. Q27265044

15. 4-piperidinamine, 1-methyl-n-phenyl-n-(phenylmethyl)-, Mono(2-hydroxypropanoate)

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₃₀N₂O₃
Molecular Weight	370.5 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	64
Heavy Atom Count	27
Formal Charge	0
Complexity	343
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

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Histamine Antagonists

Drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists. Classical antihistaminics block the histamine H1 receptors only. (See all compounds classified as Histamine Antagonists.)

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