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Crobenetine hydrochloride

CAT: 0013-GTR19197839-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197839-01Size:25 mg
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Description
Crobenetine hydrochloride is a sodium channel blocking agent investigated for its neuroprotective potential in stroke research. It has been utilized in both in vitro electrophysiology studies and in vivo models of cerebral ischemia to explore mechanisms of action and therapeutic efficacy.
CAS Number
221018-88-8
Field of Research
Pharmacology & Drug Discovery
Smiles
C[C@]12C=3C (C[C@] (C1 (C) C) (N (C[C@@H] (OCC4=CC=CC=C4) C) CC2) [H]) =C (O) C=CC3.Cl
Molecular Formula
C25H34ClNO2
Molecular Weight
416
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Crobenetine hydrochloride
CAS Number221018-88-8
PubChem CID23571632
IUPAC Name(1S,9R)-1,13,13-trimethyl-10-[(2S)-2-phenylmethoxypropyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-6-ol;hydrochloride
Molecular FormulaC25H34ClNO2
Molecular Weight416.0
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity529
SMILES
C[C@@H](CN1CC[C@]2(C3=C(C[C@@H]1C2(C)C)C(=CC=C3)O)C)OCC4=CC=CC=C4.Cl
InChI
InChI=1S/C25H33NO2.ClH/c1-18(28-17-19-9-6-5-7-10-19)16-26-14-13-25(4)21-11-8-12-22(27)20(21)15-23(26)24(25,2)3;/h5-12,18,23,27H,13-17H2,1-4H3;1H/t18-,23+,25-;/m0./s1
InChIKey
UWKTVIXWZRROOI-VLIWAZBPSA-N
Chemical Structure
2D Structure
2D structure of Crobenetine hydrochloride
CAS: 221018-88-8
CID: 23571632
Formula: C25H34ClNO2
MW: 416.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight416.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass415.2278070
Monoisotopic Mass415.2278070
Topological Polar Surface Area32.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity529
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes