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Ajmaline hydrochloride

CAT: 0931-T4550LSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T4550LSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4410-48-4
Target
Others
Related Pathways
Others
Bioactivity
Ajmaline hydrochloride is an alkaloid found in the root of Rauwolfia serpentina, and other plant sources. It is a class of Ia antiarrhythmic agent that apparently works by changing the shape and threshold of cardiac action potentials.
Smiles
Cl.[H][C@]12C[C@]34C(O)[C@@]1([H])[C@@]1([H])C[C@]([H])(N2[C@H](O)[C@H]1CC)[C@]3([H])N(C)c1ccccc41
Molecular Formula
C20H27ClN2O2
Molecular Weight
362.89
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ajmalan-17,21-diol, hydrochloride (1:1), (17R,21alpha)-
CAS Number4410-48-4
PubChem CID76971380
IUPAC Name(1R,9R,10S,12R,13S,14R,16S,17S,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol;hydrochloride
Molecular FormulaC20H27ClN2O2
Molecular Weight362.9
Topological Polar Surface Area46.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count25
Formal Charge0
Complexity570
SMILES
CC[C@H]1[C@@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H]([C@H]2[C@H]5O)N3[C@@H]1O)C6=CC=CC=C6N4C.Cl
InChI
InChI=1S/C20H26N2O2.ClH/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24;/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3;1H/t10-,11-,14-,15-,16-,17-,18+,19+,20+;/m0./s1
InChIKey
FNCWZVOLGCRECX-LCJCZRDQSA-N
Chemical Structure
2D Structure
2D structure of Ajmalan-17,21-diol, hydrochloride (1:1), (17R,21alpha)-
CAS: 4410-48-4
CID: 76971380
Formula: C20H27ClN2O2
MW: 362.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass362.1761058
Monoisotopic Mass362.1761058
Topological Polar Surface Area46.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity570
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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