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Lappaconitine Hydrobromide

Munit offers scalable GMP micronization and particle size engineering to enhance drug solubility, bioavailability, and performance.

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Chemistry

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Also known as: 97792-45-5, Allapinin, Allapinine, Htd60494v5, Refchem:798503, 808-132-8

Molecular Formula

C₃₂H₄₅BrN₂O₈

Molecular Weight

665.6 g/mol

InChI Key

CFFYROOPXPKMEQ-IPZKEBFRSA-N

FDA UNII

HTD60494V5

Russian drug

1 2D Structure

Lappaconitine Hydrobromide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(1S,2S,3S,4S,5R,6S,8S,9S,10R,13S,16S,17S)-11-ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl] 2-acetamidobenzoate;hydrobromide

2.1.2 InChI

InChI=1S/C32H44N2O8.BrH/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5;/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35);1H/t19-,20+,22+,23-,24+,25+,26-,27+,29-,30+,31+,32+;/m1./s1

2.1.3 InChI Key

CFFYROOPXPKMEQ-IPZKEBFRSA-N

2.2 Other Identifiers

2.2.1 UNII

HTD60494V5

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Allapinin

2. Allapinine

2.3.2 Depositor-Supplied Synonyms

1. 97792-45-5

2. Allapinin

3. Allapinine

4. Htd60494v5

5. Refchem:798503

6. 808-132-8

7. Lappaconite Hydrobromide

8. (3s,6s,6as,7s,7as,8s,9r,10s,11as,12s,12ar,14s)-1-ethyl-7a,11a-dihydroxy-6,8,10-trimethoxydodecahydro-2h-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocin-3(4h)-yl 2-acetamidobenzoate Hydrobromide

9. Lappaconitine Hbr

10. Lappaconiti Hydrobromidum

11. Unii-htd60494v5

12. Allafort

13. Chembl5483031

14. Schembl30014895

15. Lappaconitine Hydrobromide [who-dd]

16. Aconitane-4,8,9-triol, 20-ethyl-1,14,16-trimethoxy-, 4-(2-(acetylamino)benzoate), Hydrobromide (1:1), (1.alpha.,14.alpha.,16.beta.)-

17. Aconitane-4,8,9-triol, 20-ethyl-1,14,16-trimethoxy-, 4-(2-(acetylamino)benzoate), Monohydrobromide, (1-alpha,14-alpha,16-beta)-

18. Aconitane-4,8,9-triol, 20-ethyl-1,14,16-trimethoxy-, 4-(2-(acetylamino)benzoate), Monohydrobromide, (1.alpha.,14.alpha.,16.beta.)-

19. Aconitane-4,8,9-triol, 20-ethyl-1,14,16-trimethyoxy-, 4-(2-(acetylamino)benzoate), Monohydrobromide, (1alpha,14alpha,16beta)-

2.4 Create Date

2015-02-20

3 Chemical and Physical Properties

Molecular Formula	C₃₂H₄₅BrN₂O₈
Molecular Weight	665.6 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	127
Heavy Atom Count	43
Formal Charge	0
Complexity	1120
Isotope Atom Count	0
Defined Atom Stereocenter Count	12
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Anti-Arrhythmia Agents

Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.

Bronchodilator Agents

Agents that cause an increase in the expansion of a bronchus or bronchial tubes.

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