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Carpaine hydrochloride

CAT: 0013-GTR19206326-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206326-01Size:25 mg
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Description
Carpaine hydrochloride is a natural alkaloid derived from Carica papaya, demonstrating anti-thrombocytopenic and anti-plasmodial properties. It is utilized in research for studying platelet disorders and malaria, with applications in both in vitro and in vivo experimental models.
CAS Number
5853-21-4
Smiles
C[C@H]1[C@@]2 (CC[C@] (N1) (CCCCCCCC (=O) O[C@@]3 ([C@H] (C) N[C@] (CCCCCCCC (=O) O2) (CC3) [H]) [H]) [H]) [H].Cl
Molecular Formula
C28H51ClN2O4
Molecular Weight
515.17
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Carpaine hydrochloride
CAS Number5853-21-4
PubChem CID12305271
IUPAC Name(1S,11R,13S,14S,24R,26S)-13,26-dimethyl-2,15-dioxa-12,25-diazatricyclo[22.2.2.211,14]triacontane-3,16-dione;hydrochloride
Molecular FormulaC28H51ClN2O4
Molecular Weight515.2
Topological Polar Surface Area76.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count35
Formal Charge0
Complexity561
SMILES
C[C@H]1[C@@H]2CC[C@H](N1)CCCCCCCC(=O)O[C@H]3CC[C@@H](CCCCCCCC(=O)O2)N[C@H]3C.Cl
InChI
InChI=1S/C28H50N2O4.ClH/c1-21-25-19-17-23(29-21)13-9-5-3-8-12-16-28(32)34-26-20-18-24(30-22(26)2)14-10-6-4-7-11-15-27(31)33-25;/h21-26,29-30H,3-20H2,1-2H3;1H/t21-,22-,23+,24+,25-,26-;/m0./s1
InChIKey
GQXBBDNLYDPQTI-HOXUVVOFSA-N
Chemical Structure
2D Structure
2D structure of Carpaine hydrochloride
CAS: 5853-21-4
CID: 12305271
Formula: C28H51ClN2O4
MW: 515.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight515.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass514.3537358
Monoisotopic Mass514.3537358
Topological Polar Surface Area76.7 Ų
Heavy Atom Count35
Formal Charge0
Complexity561
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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