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Lappaconitine HCl

CAT: 0931-T2806L-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T2806L-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
767350-42-5
Target
Others
Related Pathways
Others
Bioactivity
Lappaconitine HCl is a centrally acting non-opioid analgesic and class-I antiarrhythmic. It acts by binding to the site-2 receptor and irreversibly blocking hH1 sodium channels.
Smiles
O(C)[C@@H]1[C@@]23[C@]4([C@](OC(=O)C5=C(NC(C)=O)C=CC=C5)(CN(CC)[C@@]2([C@](C4)([C@]6(O)[C@]7(O)[C@]3(C[C@@]([C@@H]7OC)([C@@H](OC)C6)[H])[H])[H])[H])CC1)[H].Cl
Molecular Formula
C32H45ClN2O8
Molecular Weight
621.16
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lappaconitine hydrochloride
CAS Number767350-42-5
PubChem CID90479694
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;hydrochloride
Molecular FormulaC32H45ClN2O8
Molecular Weight621.2
Topological Polar Surface Area127
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count43
Formal Charge0
Complexity1120
SMILES
CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@H]([C@H]31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@]5([C@H]6OC)O)OC)O)OC)OC(=O)C7=CC=CC=C7NC(=O)C.Cl
InChI
InChI=1S/C32H44N2O8.ClH/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
InChIKey
AFZPKUNOYLOCHW-IPZKEBFRSA-N
Chemical Structure
2D Structure
2D structure of Lappaconitine hydrochloride
CAS: 767350-42-5
CID: 90479694
Formula: C32H45ClN2O8
MW: 621.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight621.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass620.2864441
Monoisotopic Mass620.2864441
Topological Polar Surface Area127 Ų
Heavy Atom Count43
Formal Charge0
Complexity1120
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
FL74135-01Lappaconitine
HY-N0118Lappaconitine (hydrobromide)
AB0025Lappaconitine hydrobromide
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