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Bepridil hydrochloride monohydrate

CAT: 0957-S9566-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-S9566-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
74764-40-2
Synonyms
CERM 1978
Target
Calcium Channel
Applications
Neuronal Signaling
Smiles
CC (C) COCC (CN (CC1=CC=CC=C1) C2=CC=CC=C2) N3CCCC3.Cl
Molecular Formula
C24H37ClN2O2
Additionnal Information
Bepridil hydrochloride monohydrate (CERM 1978) is an anti-anginal drug classified as a calcium channel blocker. It also blocks multiple other ion channels, including sodium and potassium channels.
Storage Conditions
3 years -20°C powder

Chemical Information

Vascor
CAS Number74764-40-2
PubChem CID91725
IUPAC NameN-benzyl-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]aniline;hydrate;hydrochloride
Molecular FormulaC24H37ClN2O2
Molecular Weight421.0
Topological Polar Surface Area16.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count29
Formal Charge0
Complexity382
SMILES
CC(C)COCC(CN(CC1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3.O.Cl
InChI
InChI=1S/C24H34N2O.ClH.H2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22;;/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3;1H;1H2
InChIKey
UEECHQPWQHYEDE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vascor
CAS: 74764-40-2
CID: 91725
Formula: C24H37ClN2O2
MW: 421.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight421.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass420.2543561
Monoisotopic Mass420.2543561
Topological Polar Surface Area16.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity382
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes